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Revision as of 19:47, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 466518519 of page Acenaphthoquinone for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 19:47, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 466404541 of page Acenaphthylene 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~~		\| verifiedrevid = 443364366
			\| Name = Acenaphthylene
	\| ~~ImageFile_Ref~~ = {{chemboximage\|correct\|??}}		\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
	\| ImageFile = Acenaphthoquinone.png
			\| ImageFileL1 = Acenaphthylene.svg
	\| ImageSize = 140px
			\| ImageSizeL1 = 120px
	\| ~~ImageAlt~~ = Skeletal formula		\| ImageAltL1 = Skeletal formula
	\| ImageFile1 = Acenaphthoquinone-3D-balls.png
			\| ImageFileR1 = Acenaphthylene-3D-spacefill.png
	\| ImageSize1 = 160
			\| ImageSizeR1 = 120px
	\| ImageAlt1 = Ball-and-stick model
			\| ImageAltR1 = Space-filling model
	\| IUPACName = ~~Acenaphthoquinone~~		\| IUPACName = acenaphthylene
	\| OtherNames = Acenaphthenequinone, 1,2-Acenaphthenequinone, Acenaphthenedione, 1,2-Acenaphthylenedione, Acenaphthene-1,2-dione, 1,2-Diketoacenaphthene
			\| OtherNames = Cycopenta(de)naphthalene, Acenaphthalene
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEBI = 33081
			\| SMILES = c3cc1cccc2\C=C/c(c12)c3
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~6468~~		\| ChemSpiderID = 8807
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| InChIKey = AFPRJLBZLPBTPZ-UHFFFAOYAC
			\| UNII = 1Z25C36811
⚫	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}
		⚫	\| InChI = 1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
	\| ChEMBL = 395653
			\| InChIKey = HXGDTGSAIMULJN-UHFFFAOYAQ
			\| SMILES1 = c1cc2cccc3c2c(c1)C=C3
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C12H6O2~~/~~c13-11-8-5-1~~-3-7-4-2-6-9(10(~~7)8~~)12(11)14/h1-6H		\| StdInChI = 1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~AFPRJLBZLPBTPZ~~-UHFFFAOYSA-N		\| StdInChIKey = HXGDTGSAIMULJN-UHFFFAOYSA-N
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = 82-86-0		\| CASNo = 208-96-8
	\| ~~EINECS~~ = ~~201-441-3~~		\| PubChem = 9161
	\| ~~PubChem~~ = ~~6724~~		\| RTECS =
	\| SMILES = O=C3c2cccc1cccc(c12)C3=O
⚫	\| InChI = 1/~~C12H6O2~~/~~c13-11-8-5-1~~-3-7-4-2-6-9(10(~~7)8~~)12(11)14/h1-6H
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChEBI = ~~15342~~
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = C02807
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\|C=12\|H=~~6\|O=2~~		\|C=12\|H=8
	\| Appearance = ~~Purple-yellow~~ ~~crystals to brown~~ powder		\| Appearance = Yellow crystalline powder
	\| Density =		\| Density = 0.8987 g cm<sup>-3</sup>
		⚫	\| Solubility = Insoluble
	\| MeltingPt = 257 – 261 °C (530 – 534 K)
			\| Solubility1 = very soluble
	\| BoilingPt =
			\| Solvent1 = ethanol
⚫	\| Solubility = Insoluble ~~(90.1 mg/l)~~
			\| Solubility2 = very soluble
			\| Solvent2 = diethyl ether
			\| Solubility3 = very soluble
			\| Solvent3 = benzene
			\| Solubility4 = soluble
			\| Solvent4 = chloroform
			\| MeltingPtC = 91.8
			\| BoilingPtC = 280
			}}
			\| Section3 = {{Chembox Structure
			\| CrystalStruct =
		⚫	\| Dipole =
			}}
			\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| MainHazards =
		⚫	\| FlashPt = ?°C
		⚫	\| RPhrases = {{R22}} {{R36}} {{R37}} {{R38}}
		⚫	\| SPhrases = {{S26}} {{S36}} {{S37}} {{S39}}
	}}		}}
	\| ~~Section3~~ = {{Chembox ~~Hazards~~		\| Section8 = {{Chembox Related
	\| ~~MainHazards~~ = ~~Irritating~~		\| OtherCpds = ]
⚫	\| FlashPt =
	\| Autoignition =
	\| NFPA-H = 2
	\| NFPA-F = 0
	\| NFPA-R = 0
⚫	\| ~~NFPA-O~~ =
⚫	\| RPhrases = {{R36~~/37/38~~}}
⚫	\| SPhrases = {{S26}}, {{S37~~/39~~}}
	}}		}}
	}}		}}

Revision as of 19:47, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466404541 of page Acenaphthylene with values updated to verified values.

Acenaphthylene

Names

IUPAC name acenaphthylene

Other names Cycopenta(de)naphthalene, Acenaphthalene

Identifiers

CAS Number

208-96-8

3D model (JSmol)

ChEBI

CHEBI:33081

ChemSpider

8807

PubChem CID

9161

UNII

1Z25C36811

InChI

InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8HKey: HXGDTGSAIMULJN-UHFFFAOYSA-N
InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8HKey: HXGDTGSAIMULJN-UHFFFAOYAQ

SMILES