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Revision as of 16:26, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 472056140 of page 1,4-Benzoquinone for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 16:27, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 466489621 of page 1,4-Butanediol for the Chem/Drugbox validation project (updated: '').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{chembox		{{chembox
	\| Verifiedfields = changed		\| Verifiedfields = changed
		⚫	\| verifiedrevid = 456365325
	\| Watchedfields = changed
			\| Name = 1,4-Butanediol
⚫	\| verifiedrevid = ~~456367074~~
	\| ~~ImageFileL1~~ = P-~~Benzochinon~~.svg		\| ImageFile1 = 1,4-butanediol.svg
	\| ~~ImageSizeL1~~ = ~~60px~~		\| ImageSize1 = 200px
			\| ImageFile2 = 14bd3d.png
	\| ImageNameL1 = Skeletal formula
			\| ImageSize2 = 200px
	\| ImageFileR1 = 1,4-benzoquinone-3D-vdW.png
	\| ~~ImageSizeR1~~ = ~~125px~~		\| ImageName = 1,4-Butanediol
			\| IUPACName = Butane-1,4-diol
	\| ImageNameR1 = Space-filling model
			\| OtherNames = Tetramethylene glycol
	\| IUPACName = Cyclohexa-2,5-diene-1,4-dione
		⚫	\| Section1 = {{Chembox Identifiers
	\| OtherNames = ''p''-benzoquinone; ''p''-quinone
		⚫	\| InChI = 1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChI = 1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = WERYXYBDKMZEQL-UHFFFAOYSA-N
		⚫	\| SMILES1 = C(CCO)CO
			\| CASNo = 110-63-4
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| EC-number = 203-786-5
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| ~~ChEBI~~ = ~~16509~~		\| DrugBank = DB01955
	\| ChemSpiderID = ~~4489~~		\| ChemSpiderID = 13835209
⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
⚫	\| UNII = ~~3T006GV98U~~
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = C00472
⚫	\| InChI = 1/~~C6H4O2~~/c7-5-1-2-~~6(8)~~4-~~3-5~~/h1-4H
	\| InChIKey = AZQWKYJCGOJGHM-UHFFFAOYAR
⚫	\| SMILES1 = ~~C1=CC~~(=O)~~C=CC1=O~~
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}		\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| ChEMBL = ~~8320~~		\| ChEMBL = 171623
		⚫	\| RTECS = EK0525000
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
⚫	\| StdInChI = 1S/~~C6H4O2~~/c7-5-1-2-~~6(8)~~4-~~3-5~~/h1-4H
		⚫	\| UNII = 7XOO2LE6G3
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| SMILES = OCCCCO
⚫	\| StdInChIKey = ~~AZQWKYJCGOJGHM~~-UHFFFAOYSA-N
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = 106-51-4
⚫	\| ~~PubChem~~ =
	\| SMILES = O=C\1\C=C/C(=O)/C=C/1
⚫	\| RTECS = ~~DK2625000~~
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Reference = <ref>{{RubberBible62nd\|page=C-190}}.</ref><ref name="ICSC">{{ICSC-ref\|11\|04\|name=1,4-Butanediol\|date=March 1999}}.</ref>
	\| C=6\|H=4\|O=2		\| C=4\|H=10\|O=2
	\| Appearance = Yellow solid
	\| Density = 1.~~318~~ g/cm<sup>3</sup> at 20 °C		\| Density = 1.0171 g/cm<sup>3</sup> (20 °C)
	\| MeltingPtC = ~~115~~		\| MeltingPtC = 20.1
	\| ~~BoilingPt~~ = ~~Sublimes~~		\| BoilingPtC = 235
	\| Solubility = ~~Slightly soluble~~		\| Solubility = Miscible
			\| SolubleOther = Soluble
	\| SolubleOther = Slightly soluble in petroleum ether; soluble in acetone; very soluble in ethanol, benzene, diethyl ether
			\| Solvent = ethanol
			\| RefractIndex = 1.4460 (20 °C)
	}}		}}
	\| Section7 = {{Chembox Hazards		\| Section7 = {{Chembox Hazards
			\| Reference = <ref name="ICSC"/><ref>{{citation \| title = HSNO Chemical Classification Information Database \| url = http://www.ermanz.govt.nz/Chemicals/ChemicalDisplay.aspx?SubstanceID=12911 \| accessdate = 2009-08-29 \| publisher = New Zealand Environmental Risk Management Authority}}.</ref>
	\| MainHazards = Toxic
	\| ~~FlashPt~~ =		\| EUIndex = not listed
			\| GHSPictograms = {{GHS exclamation mark\|Acute Tox. (oral) 4}}
⚫	\| Autoignition =
			\| GHSSignalWord = WARNING
	\| RPhrases = {{R23/25}} {{R36/37/38}} {{R50}}
	\| ~~SPhrases~~ = {{~~S26}} {{S28}} {{S45}} {{S61~~}}		\| HPhrases = {{H-phrases\|302}}
			\| PPhrases = {{P-phrases\|264\|270\|301+312\|330\|501}}
			\| NFPA-H = 1
			\| NFPA-F = 1
			\| NFPA-R = 0
		⚫	\| NFPA-O =
			\| FlashPt = 121 °C (open cup)
		⚫	\| Autoignition = 350 °C
	}}		}}
	\| Section8 = {{Chembox Related		\| Section8 = {{Chembox Related
			\| OtherFunctn = ]<br/>]<br/>]
	\| Function = Ketone
	\| ~~OtherCpds~~ = ]		\| Function = ]s
			\| OtherCpds = ]<br/>]
	}}		}}
	}}		}}

Revision as of 16:27, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466489621 of page 1,4-Butanediol with values updated to verified values.

1,4-Butanediol
Names


IUPAC name Butane-1,4-diol
Other names Tetramethylene glycol
Identifiers
CAS Number	110-63-4
3D model (JSmol)	Interactive image Interactive image
ChEMBL	ChEMBL171623
ChemSpider	13835209
DrugBank	DB01955
RTECS number	EK0525000
UNII	7XOO2LE6G3
InChI InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2Key: WERYXYBDKMZEQL-UHFFFAOYSA-N InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
SMILES OCCCCO C(CCO)CO
Properties
Chemical formula	C₄H₁₀O₂
Molar mass	90.122 g·mol
Density	1.0171 g/cm (20 °C)
Melting point	20.1 °C (68.2 °F; 293.2 K)
Boiling point	235 °C (455 °F; 508 K)
Solubility in water	Miscible
Solubility in ethanol	Soluble
Refractive index (n_D)	1.4460 (20 °C)
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302
Precautionary statements	P264, P270, P301+P312, P330, P501
NFPA 704 (fire diamond)	1 1 0
Flash point	121 °C (open cup)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

Weast, Robert C., ed. (1981). CRC Handbook of Chemistry and Physics (62nd ed.). Boca Raton, Florida: CRC Press. p. C-190. ISBN 0-8493-0462-8..
^ 1,4-Butanediol, International Chemical Safety Card 1104, Geneva: International Programme on Chemical Safety, March 1999.
HSNO Chemical Classification Information Database, New Zealand Environmental Risk Management Authority, retrieved 2009-08-29.