Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 19:46, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466628188 of page Acenaphthene for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit		Revision as of 19:47, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466518519 of page Acenaphthoquinone 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
		⚫	\| verifiedrevid = 413290805
	\| Verifiedfields = changed
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
⚫	\| verifiedrevid = ~~456662235~~
			\| ImageFile = Acenaphthoquinone.png
	\| ImageFileL1 = Acenaphthene.svg
	\| ~~ImageSizeL1~~ = ~~120px~~		\| ImageSize = 140px
	\| ~~ImageAltL1~~ = Skeletal formula		\| ImageAlt = Skeletal formula
	\| ~~ImageFileR1~~ = ~~Acenaphthene~~-3D-balls.png		\| ImageFile1 = Acenaphthoquinone-3D-balls.png
	\| ~~ImageSizeR1~~ = ~~120px~~		\| ImageSize1 = 160
	\| ~~ImageAltR1~~ = Ball-and-stick model		\| ImageAlt1 = Ball-and-stick model
	\| IUPACName = ~~1,2-Dihydroacenaphthylene~~		\| IUPACName = Acenaphthoquinone
			\| OtherNames = Acenaphthenequinone, 1,2-Acenaphthenequinone, Acenaphthenedione, 1,2-Acenaphthylenedione, Acenaphthene-1,2-dione, 1,2-Diketoacenaphthene
	\| OtherNames = 1,8-Ethylenenaphthalene<br/>''peri''-Ethylenenaphthalene<br/>Naphthyleneethylene
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| InChIKey = CWRYPZZKDGJXCA-UHFFFAOYAW
		⚫	\| ChemSpiderID = 6468
	\| SMILES1 = c1cc2cccc3c2c(c1)CC3
			\| InChIKey = AFPRJLBZLPBTPZ-UHFFFAOYAC
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 395653
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C12H10~~/c1-3-9-4-2-6-~~11-8-7-~~10(~~5-1~~)12(9)11/h1-6H~~,7-8H2~~		\| StdInChI = 1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~CWRYPZZKDGJXCA~~-UHFFFAOYSA-N		\| StdInChIKey = AFPRJLBZLPBTPZ-UHFFFAOYSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = 83-32-9		\| CASNo = 82-86-0
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| EINECS = 201-~~469~~-6		\| EINECS = 201-441-3
	\| PubChem = ~~6734~~		\| PubChem = 6724
			\| SMILES = O=C3c2cccc1cccc(c12)C3=O
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}
		⚫	\| InChI = 1/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
	\| UNII = V8UT1GAC5Y
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = ~~22154~~		\| ChEBI = 15342
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| SMILES = c2cc1cccc3c1c(c2)CC3
			\| KEGG = C02807
⚫	\| InChI = 1/~~C12H10~~/c1-3-9-4-2-6-~~11-8-7-~~10(~~5-1~~)12(9)11/h1-6H~~,7-8H2~~
		⚫	}}
	\| RTECS = AB1000000
	\| UNNumber = 3077
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~6478~~
⚫	\| KEGG_Ref = {{keggcite\|~~changed~~\|kegg}}
	\| KEGG = <!-- blanked - oldvalue: C19312 -->
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| C=12 \| H=10		\|C=12\|H=6\|O=2
	\| Appearance = ~~White~~ or ~~pale yellow~~ ~~crystalline~~ powder		\| Appearance = Purple-yellow crystals to brown powder
	\| Density = ~~1.024 g/cm<sup>3</sup>~~		\| Density =
			\| MeltingPt = 257 – 261 °C (530 – 534 K)
	\| MeltingPtC = 93.4
	\| ~~BoilingPtC~~ = ~~279~~		\| BoilingPt =
	\| Solubility = 0.4 mg/~~100 ml~~		\| Solubility = Insoluble (90.1 mg/l)
	\| Solubility1 = slight
	\| Solvent1 = ethanol
	\| Solubility2 = slight
	\| Solvent2 = chloroform
	\| Solubility3 = very soluble
	\| Solvent3 = benzene
	\| Solubility4 = soluble
	\| Solvent4 = acetic acid
	\| Density = 1.222
	}}		}}
	\| ~~Section7~~ = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
			\| MainHazards = Irritating
	\| ExternalMSDS =
	\| ~~EUIndex~~ = ~~Not listed~~		\| FlashPt =
		⚫	\| Autoignition =
	\| NFPA-H = 2		\| NFPA-H = 2
	\| NFPA-F = 1		\| NFPA-F = 0
	\| NFPA-R = 1		\| NFPA-R = 0
	\| NFPA-O =		\| NFPA-O =
	\| RPhrases =		\| RPhrases = {{R36/37/38}}
	\| SPhrases =		\| SPhrases = {{S26}}, {{S37/39}}
	\| FlashPt = 135 °C
⚫	\| Autoignition = ~~>450 °C~~
	}}		}}
	}}		}}

Revision as of 19:47, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466518519 of page Acenaphthoquinone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name Acenaphthoquinone
Other names Acenaphthenequinone, 1,2-Acenaphthenequinone, Acenaphthenedione, 1,2-Acenaphthylenedione, Acenaphthene-1,2-dione, 1,2-Diketoacenaphthene
Identifiers
CAS Number	82-86-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:15342
ChEMBL	ChEMBL395653
ChemSpider	6468
EC Number	201-441-3
KEGG	C02807
PubChem CID	6724
InChI InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6HKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N InChI=1/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6HKey: AFPRJLBZLPBTPZ-UHFFFAOYAC
SMILES O=C3c2cccc1cccc(c12)C3=O
Properties
Chemical formula	C₁₂H₆O₂
Molar mass	182.178 g·mol
Appearance	Purple-yellow crystals to brown powder
Melting point	257 – 261 °C (530 – 534 K)
Solubility in water	Insoluble (90.1 mg/l)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Irritating
NFPA 704 (fire diamond)	2 0 0
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound