Template:Chembox/testcases3 - Wikipedia

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All parameters used, per section

v t e Chembox development (talk central, overview, sandboxes, testcases) WT:CHEMISTRY WT:CHEMICALS

/sandbox: {{Cbox}} · e · d · src {{Ident}} · e · d · src {{Props}} · e · d · src {{Struct}} · e · src {{Explo}} · e · src {{Thermo}} · e · src {{Pharma}} · e · src {{Hazards}} · e · src {{Related}} · e · src {{Suppl}} · e · src {{Footer}} · e · src {{header}} · e · src Chembox/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit · Module:no) cat:Chembox templates · TPU cat:tracking cats: tracked params · unk params · wd trackings testcases: Template:Chembox/testcases -- General /testcases2 -- Identifiers /testcases3 -- All parameters used /testcases4 -- Long names; show/hide /testcases5 -- Indexes /testcases6 -- per (full) section; Thermo, Explosive /testcases7images /testcases8 -- Pharma -- ATC code, pregnancy, legal, preg cat, PLLR, pharmakinetics /testcases9 -- Properties — molecular formula, molar mass, /testcases10 -- Hazards — LD50, NIOSH, GHS /testcases11 -- Structure, datapage (/ 11 has ... 11/(data page)), styles; container_only /testcases12 -- General (tc page) /testcases_(set) -- (set) subsections /testcases_wd -- wd /testcases15 -- test bot templates RC recent changes Chembox+Drugbox templates · Chembox articles WP:CHEMVAL: bot: Settings.css · Settings/sandbox · {{cascite}} External site using Chembox: http://www.cheminfo.org/wikipedia/ cheminfo.org module:TemplatePar · Template:Chembox templatePar/formatPreviewMessage Infobox drug/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit) Purge

Chembox top section

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Somename[1][2]

Names[3]
IUPAC name IUPACname
Preferred IUPAC name PIN
Systematic IUPAC name Sysname
Other names katrina, john
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Somename[4][5]

Names[6]
IUPAC name IUPACname
Preferred IUPAC name PIN
Systematic IUPAC name Sysname
Other names katrina, john
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Explosive

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Explosive data[7]
Shock sensitivity	ss
Friction sensitivity	frs
Detonation velocity	detv
RE factor	ref
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Explosive data[8]
Shock sensitivity	ss
Friction sensitivity	frs
Detonation velocity	detv
RE factor	ref
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Hazards

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Carbon monoxide

Hazards[9]
Occupational safety and health (OHS/OSH):
Main hazards	mnhaz
Ingestion hazards	inges
Inhalation hazards	inhal
Eye hazards	eye
Skin hazards	skin
GHS labelling:
Pictograms	ghpics
Signal word	ghwrd [→Category:GHS errors]
Hazard statements	hph
Precautionary statements	ppph
NFPA 704 (fire diamond)	[10] 2 1 3W
Flash point	fpt −173 to 27 °C; −280 to 80 °F; 100 to 300 K[11] note
Autoignitiontemperature	somewhere < 25 °C (77 °F; 298 K)[12] nots
Explosive limits	lim
Threshold limit value (TLV)	tlv, twa (TWA), stel (STEL), tlvc (C)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	ld50
LC50 (median concentration)	lc50
NIOSH (US health exposure limits):[13]
PEL (Permissible)	pel
REL (Recommended)	rel
IDLH (Immediate danger)	idlh
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Carbon monoxide

Hazards[14]
Occupational safety and health (OHS/OSH):
Main hazards	mnhaz
Ingestion hazards	inges
Inhalation hazards	inhal
Eye hazards	eye
Skin hazards	skin
GHS labelling:
Pictograms	ghpics
Signal word	ghwrd [→Category:GHS errors]
Hazard statements	hph
Precautionary statements	ppph
NFPA 704 (fire diamond)	[15] 2 1 3W
Flash point	fpt −173 to 27 °C; −280 to 80 °F; 100 to 300 K[16] note
Autoignitiontemperature	somewhere < 25 °C (77 °F; 298 K)[17] nots
Explosive limits	lim
Threshold limit value (TLV)	tlv, twa (TWA), stel (STEL), tlvc (C)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	ld50
LC50 (median concentration)	lc50
NIOSH (US health exposure limits):[18]
PEL (Permissible)	pel
REL (Recommended)	rel
IDLH (Immediate danger)	idlh
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Identifiers

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Identifiers[19]
CAS Number	casno0 casno0cmt casno1 casno1cmt t1e2s3t4t444
3D model (JSmol)	smi0cmt: Interactive image smi1cmt: Interactive image
3DMet	3dmet
Abbreviations	abbr/sbox
Beilstein Reference	beilst
ChEBI	CHEBI:chebi
ChEMBL	ChEMBLChembl0 ChEMBLChembl2 ChEMBLChembl4
ChemSpider	spi0 spi0cmt spi4
DrugBank	drubsbk
EC Number	einecs
Gmelin Reference	geme
IUPHAR/BPS	iupharlig
KEGG	kegg
MeSH	meshname
PubChem CID	pc0 pc0cmt pc2 pc2cmt pcooo
RTECS number	rtecs
UNII	unii0 unii1 uni5
UN number	unnnr
InChI InChI=/S inchiooo
SMILES smi0cmt: smi0 smi1cmt: smi1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Identifiers[20]
CAS Number	casno0 casno0cmt casno1 casno1cmt t1e2s3t4t444
3D model (JSmol)	smi0cmt: Interactive image smi1cmt: Interactive image
3DMet	3dmet
Abbreviations	abbr
Beilstein Reference	beilst
ChEBI	CHEBI:chebi
ChEMBL	ChEMBLChembl0 ChEMBLChembl2 ChEMBLChembl4
ChemSpider	spi0 spi0cmt spi4
DrugBank	drubsbk
EC Number	einecs
Gmelin Reference	geme
IUPHAR/BPS	iupharlig
KEGG	kegg
MeSH	meshname
PubChem CID	pc0 pc0cmt pc2 pc2cmt pcooo
RTECS number	rtecs
UNII	unii0 unii1 uni5
UN number	unnnr
InChI InChI=/S inchiooo
SMILES smi0cmt: smi0 smi1cmt: smi1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

InChI

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Chembox/testcases3

Identifiers
CAS Number	999 333 none
InChI InChI=1/Sabc InChI=1/abc InChI=1/abc InChI=1/abc InChI= InChI=InChI
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound inchi test

Identifiers
CAS Number	999 333 none
InChI InChI=1/Sabc InChI=1/abc InChI=1/abc InChI=1/abc InChI=InChI
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Props

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Properties[22]
Chemical formula	form
Molar mass	312.3456 mm_notes
Appearance	appear
Odor	odrodour
Density	dens
Melting point	mp [convert: invalid number]
Boiling point	bp −42 to −42 °C; −44 to −43 °F; 231 to 231 K
Sublimationconditions	subc
Solubility in water	sol
Solubility product (Ksp) of prodass	prod
Solubility in london	soloth
Solubility in so1	sl1
Solubility in solv5	solu5
log P	logp
Henry's lawconstant (kH)	hc
Atmospheric OH rate constant	ohc
Acidity (pKa)	pka
Basicity (pKb)	pkb
Isoelectric point	isopt
UV-vis (λmax)	lab
Absorbance	abs
Band gap	bgap
Electron mobility	elmob
Chiral rotation ([α]D)	spec
Magnetic susceptibility (χ)	magsus
Thermal conductivity	thermc
Refractive index (nD)	refr
Viscosity	visc
Critical relative humidity	crithr
Dipole moment	dip
Hybridisation	orb
Specific Surface Area	spec
Pore volume	porev
Average Pore Size	avgpore
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties[25]
Chemical formula	form
Molar mass	312.3456 mm_notes
Appearance	appear
Odor	odrodour
Density	dens
Melting point	mp [convert: invalid number]
Boiling point	bp −42 to −42 °C; −44 to −43 °F; 231 to 231 K
Sublimationconditions	subc
Solubility in water	sol
Solubility product (Ksp) of prodass	prod
Solubility in london	soloth
Solubility in so1	sl1
Solubility in solv5	solu5
log P	logp
Henry's lawconstant (kH)	hc
Atmospheric OH rate constant	ohc
Acidity (pKa)	pka
Basicity (pKb)	pkb
Isoelectric point	isopt
UV-vis (λmax)	lab
Absorbance	abs
Band gap	bgap
Electron mobility	elmob
Chiral rotation ([α]D)	spec
Magnetic susceptibility (χ)	magsus
Thermal conductivity	thermc
Refractive index (nD)	refr
Viscosity	visc
Critical relative humidity	crithr
Dipole moment	dip
Hybridisation	orb
Specific Surface Area	spec
Pore volume	porev
Average Pore Size	avgpore
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Formula & Molar Mass (param change)

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OLD Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound OLD - no Round Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

new

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Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound no round Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

mixed

[edit] Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

C=1, H=2 & Molar Mass (param change)

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OLD Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound OLD - no Round Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

new

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Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound no round Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

mixed

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Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Pharma

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drugb, ATC

Pharmacology[39]
ATC code	aprefasuff (WHO) asuppl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound drugb, ATC

Pharmacology[40]
ATC code	aprefasuff (WHO) asuppl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Related

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Chembox/testcases3

Related compounds[41]
Other anions	-
Other cations	PhosphineArsineStibine
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Related compounds[42]
Other anions	-
Other cations	PhosphineArsineStibine
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Structure

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Chembox/testcases3

Structure[43]
Crystal structure	Face-centered cubic, cF1924
Space group	Fm3m, No. 225
Point group	-
Lattice constant	a = 1.4154 nm, b = -, c = -α = 40.4°, β = 90°, γ = 90°
Coordination geometry	octahedral at Fe
Molecular shape	Linear
Hybridisation	-
Dipole moment	2.98 D
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Structure[44]
Crystal structure	Face-centered cubic, cF1924
Space group	Fm3m, No. 225
Point group	-
Lattice constant	a = 1.4154 nm, b = -, c = -α = 40.4°, β = 90°, γ = 90°
Coordination geometry	octahedral at Fe
Molecular shape	Linear
Hybridisation	-
Dipole moment	2.98 D
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Supplement

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Chembox/testcases3

Supplementary data page
[[]]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Chembox/testcases3

Supplementary data page
[[]]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Thermo

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Carbon monoxide

Thermochemistry[45]
Heat capacity (C)	29.1 J/K mol
Std molarentropy (S⦵298)	197.7 J·mol−1·K−1
Std enthalpy offormation (ΔfH⦵298)	−110.5 kJ·mol−1
Gibbs free energy (ΔfG⦵)	x
Std enthalpy ofcombustion (ΔcH⦵298)	−283.4 kJ/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound Carbon monoxide

Thermochemistry[46]
Heat capacity (C)	29.1 J/K mol
Std molarentropy (S⦵298)	197.7 J·mol−1·K−1
Std enthalpy offormation (ΔfH⦵298)	−110.5 kJ·mol−1
Gibbs free energy (ΔfG⦵)	x
Std enthalpy ofcombustion (ΔcH⦵298)	−283.4 kJ/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

Chembox Footer

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Chembox/testcases3

Names
IUPAC name Azane
Preferred IUPAC name 3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
Systematic IUPAC name SNpo/usahrgpierw/uhgpieqruhgphg()opib()[]oihb/77%()lkhbg)_i[&&&77]
Other names Hydrogen nitrideTrihydrogen nitrideNitro-Sil
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Chemical compound Chembox/testcases3

Names
IUPAC name Azane
Preferred IUPAC name 3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
Systematic IUPAC name SNpo/usahrgpierw/uhgpieqruhgphg()opib()[]oihb/77%()lkhbg)_i[&&&77]
Other names Hydrogen nitrideTrihydrogen nitrideNitro-Sil
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Chemical compound

empty secs

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all sec

Explosive data
RE factor	RF
Identifiers
Gmelin Reference	gm
Pharmacology
Pharmacokinetics:
Excretion	xcr
Properties
Odor	odr
Related compounds
Other anions	oa
Structure
Point group	pg
Thermochemistry
Std molarentropy (S⦵298)	ent
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound all sec

Explosive data
RE factor	RF
Identifiers
Gmelin Reference	gm
Pharmacology
Pharmacokinetics:
Excretion	xcr
Properties
Odor	odr
Related compounds
Other anions	oa
Structure
Point group	pg
Thermochemistry
Std molarentropy (S⦵298)	ent
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

LC50/LD50

[edit] ld50 - lc50

Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)	fityy
LC50 (median concentration)	sixty
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound ld50 - lc50

Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)	fityy
LC50 (median concentration)	sixty
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chemical compound

refs

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1. ^ [www.example.com "someref"]. {{cite web}}: Check |url= value (help)
2. ^ Cbox_ref
3. ^ Names_ref
4. ^ [www.example.com "someref"]. {{cite web}}: Check |url= value (help)
5. ^ Cbox_ref
6. ^ Names_ref
7. ^ Explo_ref
8. ^ Explo_ref
9. ^ Haz_ref
10. ^ rrr
11. ^ rrr
12. ^ rrr
13. ^ "NIOSH Pocket Guide to Chemical Hazards".
14. ^ Haz_ref
15. ^ rrr
16. ^ rrr
17. ^ wwww
18. ^ "NIOSH Pocket Guide to Chemical Hazards".
19. ^ Id_ref
20. ^ Id_ref
21. ^ Hello world
22. ^ Props_ref
23. ^ br
24. ^ Hello world
25. ^ Props_ref
26. ^ br
27. ^ Hello World Mass
28. ^ Hello World Mass
29. ^ Hello World Mass
30. ^ Hello World Mass
31. ^ Hello World Mass mix
32. ^ Hello World Mass mix
33. ^ Hello World Mass
34. ^ Hello World Mass
35. ^ Hello World Mass
36. ^ Hello World Mass
37. ^ Hello World Mass mix
38. ^ Hello World Mass mix
39. ^ Pharm_ref
40. ^ Pharm_ref
41. ^ Rel_ref
42. ^ Rel_ref
43. ^ Struct_ref
44. ^ Struct_ref
45. ^ Therme_ref
46. ^ Therme_ref