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

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Revision as of 17:29, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473188357 of page 2-Nitrobenzaldehyde for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 17:29, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473188404 of page 2-Nitrocinnamaldehyde 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
	\| Watchedfields = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~413114560~~		\| verifiedrevid = 456499857
	\| Reference=<ref>~~</ref><ref>~~</ref>		\| Reference=<ref>http://www.21cnlab.com/chemdict/MSDS/62967.html 2-Nitrocinnamaldehyde MSDS</ref>
	\| ImageFile = 2-~~nitrobenzaldehyde~~.svg		\| ImageFile = 2-nitrocinnamaldehyde.svg
	\| ImageSize = ~~130px~~		\| ImageSize = 160px
	\| IUPACName = 2-~~Nitrobenzaldehyde~~		\| IUPACName = (''E'')-3-(2-Nitrophenyl)prop-2-enal
	\| OtherNames = Nitrobenzaldehyde, ortho-nitrobenzaldehyde, ''o''-nitrobenzaldehyde
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| PubChem = ~~11101~~
		⚫	\| ChEMBL = 53723
⚫	\| InChI = 1/~~C7H5NO3~~/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
		⚫	\| PubChem = 5367122
⚫	\| SMILES = O=()~~c1ccccc1C~~=O
		⚫	\| InChI = 1/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
	\| InChIKey = CMWKITSNTDAEDT-UHFFFAOYAD
⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChEMBL = ~~166559~~
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C7H5NO3~~/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H		\| StdInChI = 1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
		⚫	\| SMILES = O=()c1ccccc1\C=C\C=O
			\| InChIKey = VMSMELHEXDVEDE-HWKANZROBN
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~CMWKITSNTDAEDT~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = VMSMELHEXDVEDE-HWKANZROSA-N
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| CASNo = 552-89-6
		⚫	\| ChemSpiderID = 4518729
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	}}
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~10630~~
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = C<sub>7</sub>H<sub>5</sub>NO<sub>3</sub>		\| Formula = C<sub>9</sub>H<sub>7</sub>O<sub>3</sub>N
	\| MolarMass = 151.12 g/mol
	\| Appearance = Pale yellow crystalline powder		\| Appearance = Pale yellow crystalline powder
	\| Density =		\| Density =
			\| MeltingPt = 124–126 °C
	\| MeltingPtC = 43
	\| ~~BoilingPtC~~ = ~~152~~		\| BoilingPt =
	\| Solubility = ~~Insoluble~~		\| Solubility = Slightly soluble
	}}		}}
	\| ~~Section7~~ = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
	\| MainHazards = ~~Harmful, Potentially mutagenic~~		\| MainHazards =
	\| RPhrases = ~~{{R36}} {{R37}} {{R38}} {{R41}}~~		\| RPhrases =
	\| SPhrases = {{~~S26~~}} {{~~S28~~}}		\| SPhrases = {{S24}} {{S25}}
	\| NFPA-H = 2		\| NFPA-H =
	\| NFPA-F = 1		\| NFPA-F =
	\| NFPA-R = 0		\| NFPA-R =
	\| NFPA-O =		\| NFPA-O =
	}}		}}

Revision as of 17:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473188404 of page 2-Nitrocinnamaldehyde with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (E)-3-(2-Nitrophenyl)prop-2-enal
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL53723
ChemSpider	4518729
PubChem CID	5367122
InChI InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+Key: VMSMELHEXDVEDE-HWKANZROSA-N InChI=1/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+Key: VMSMELHEXDVEDE-HWKANZROBN
SMILES O=()c1ccccc1\C=C\C=O
Properties
Chemical formula	C₉H₇O₃N
Appearance	Pale yellow crystalline powder
Melting point	124–126 °C
Solubility in water	Slightly soluble
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

http://www.21cnlab.com/chemdict/MSDS/62967.html 2-Nitrocinnamaldehyde MSDS