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

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Revision as of 17:32, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 458453695 of page 2-Pyridylethylamine for the Chem/Drugbox validation project (updated: 'ChEBI').← Previous edit		Revision as of 17:32, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 465852440 of page 2-Pyrone for the Chem/Drugbox validation project (updated: 'CASNo').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
	\| Watchedfields = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~456500168~~		\| verifiedrevid = 443316407
			\|Reference=<ref> at ]</ref>
	\| ImageFile = 2-~~Pyridylethylamine~~.png		\|ImageFile=2-Pyranone.png
⚫	\| ~~ImageFile_Ref~~ = {{~~Chemboximage~~\|correct\|??}}
			\|ImageSize=100px
	\| ImageName = Kekulé, skeletal formula of 2-pyridylethylamine
	\| IUPACName = ~~2-Pyridin~~-2-~~ylethanamine<ref>{{PubChem\|75919}}</ref>~~		\|IUPACName=Pyran-2-one
			\|OtherNames=α-Pyrone<br>2-Pyranone<br>2''H''-Pyran-2-one
	\| OtherNames = 2-(2-Pyridyl)ethanamine{{Citation needed\|date = October 2011}}
	\| Section1 = {{Chembox Identifiers		\|Section1= {{Chembox Identifiers
	\| CASNo = 2706-56-1
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}
⚫	\| PubChem = ~~75919~~
	\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
⚫	\| ChemSpiderID = ~~68424~~
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 61462
	\| EINECS = 220-295-1
		⚫	\| InChI = 1/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
	\| UNNumber = 2735
			\| InChIKey = ZPSJGADGUYYRKE-UHFFFAOYAI
	\| MeSHName = 2-(2-Aminoethyl)pyridine
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| ~~ChEBI~~ = <!-- blanked - oldvalue: ~~147599~~ -->
		⚫	\| StdInChI = 1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| ChEMBL = 32813
		⚫	\| StdInChIKey = ZPSJGADGUYYRKE-UHFFFAOYSA-N
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| IUPHAR_ligand = 1197
		⚫	\| CASNo = <!-- blanked - oldvalue: 504-31-4 -->
	\| Beilstein = 111208
		⚫	\| PubChem=68154
	\| SMILES = NCCc1ccccn1
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| SMILES1 = NCCC1=CC=CC=N1
			\| ChEBI = 37965
⚫	\| StdInChI = 1S/~~C7H10N2~~/c8-5~~-4-7~~-3-1-2-6-9-7/h1-~~3,6H,4-5,8H2~~
			\| SMILES = O=C\1O\C=C/C=C/1
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| InChI = 1/~~C7H10N2~~/c8-5~~-4-7~~-3-1-2-6-9-7/h1-~~3,6H,4-5,8H2~~
⚫	\| StdInChIKey = ~~XPQIPUZPSLAZDV~~-UHFFFAOYSA-N
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChIKey = XPQIPUZPSLAZDV-UHFFFAOYAY
⚫	}}
⚫	\| Section2 = {{Chembox Properties
	\| C=7\|H=10\|N=2
	\| ExactMass = 122.084398330 g mol<sup>-1</sup>
⚫	\| Density = 1.~~021~~ g ~~cm<sup>-3<~~/~~sup>~~
	\| BoilingPtK = 366
	\| Boiling_notes = at 1.6 kPa
	\| LogP = -0.11
	\| RefractIndex = 1.536
⚫	}}
⚫	\| Section3 = {{Chembox Hazards
	\| GHSPictograms = {{GHS exclamation mark}}
	\| GHSSignalWord = '''WARNING'''
	\| HPhrases = {{H-phrases\|315\|319\|335}}
	\| PPhrases = {{P-phrases\|261\|305+351+338}}
	\| EUClass = {{Hazchem Xi}}
	\| RPhrases = {{R36/37/38}}
	\| SPhrases = {{S26}}, {{S36}}
	\| NFPA-F = 1
	\| NFPA-H = 1
	\| NFPA-R = 0
⚫	\| FlashPt = ~~100 °C~~
	}}		}}
		⚫	\|Section2= {{Chembox Properties
			\| Formula=C<sub>5</sub>H<sub>4</sub>O<sub>2</sub>
			\| MolarMass=96.08
			\| Appearance=
		⚫	\| Density=1.197 g/mL
			\| MeltingPt=
			\| BoilingPt=102–103 °C at 20 mmHg
			\| Solubility=
		⚫	}}
		⚫	\|Section3= {{Chembox Hazards
			\| MainHazards=
		⚫	\| FlashPt=
			\| Autoignition=
		⚫	}}
	}}		}}

Revision as of 17:32, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 465852440 of page 2-Pyrone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name Pyran-2-one
Other names α-Pyrone 2-Pyranone 2H-Pyran-2-one
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:37965
ChemSpider	61462
PubChem CID	68154
InChI InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4HKey: ZPSJGADGUYYRKE-UHFFFAOYSA-N InChI=1/C5H4O2/c6-5-3-1-2-4-7-5/h1-4HKey: ZPSJGADGUYYRKE-UHFFFAOYAI
SMILES O=C\1O\C=C/C=C/1
Properties
Chemical formula	C₅H₄O₂
Molar mass	96.08
Density	1.197 g/mL
Boiling point	102–103 °C at 20 mmHg
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

2H-Pyran-2-one at Sigma-Aldrich