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Revision as of 20:03, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 476073948 of page Acrylamide for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 20:03, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 473298789 of page Acrylic_acid 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 = ~~443368280~~		\| verifiedrevid = 443657446
			\| Name = Acrylic acid
	\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
			\| Reference=<ref>'']'', 11th Edition, '''124'''.</ref>
	\| ~~ImageFileL1~~ = ~~Acrylamide~~-2D-skeletal.png		\| ImageFile1 = Acrylic-acid-2D-skeletal.png
	\| ImageSize = 100px
			\| ImageSize1 = 180px
	\| ImageFileR1 = Acrylamide-MW-2000-3D-balls.png
			\| ImageName1 = Skeletal formula
	\| ImageSizeR1 = 120px
	\| ImageFile2 = ~~Acrylamide~~-MW-~~2000~~-3D-~~vdW~~.png		\| ImageFile2 = Acrylic-acid-from-xtal-3D-balls.png
	\| ImageSize2 = ~~150px~~		\| ImageSize2 = 200px
			\| ImageName20 = Ball-and-stick model
	\| IUPACName = ~~prop~~-2-~~enamide~~		\| IUPACName = Prop-2-enoic acid
	\| OtherNames =
			\| OtherNames = acroleic acid<br />ethylenecarboxylic acid<br />propene acid<br />propenoic acid<br />vinylformic acid
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 18308
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB02579
		⚫	\| SMILES = O=C(O)C=C
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 6333
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~20R035KLCI~~		\| UNII = J94PBK7X8S
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~C01659~~		\| KEGG = D03397
	\| InChI = 1/~~C3H5NO~~/c1-2-3(4)5/h2H,1H2,(H2,4,5)		\| InChI = 1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
	\| InChIKey = ~~HRPVXLWXLXDGHG~~-~~UHFFFAOYAS~~		\| InChIKey = NIXOWILDQLNWCW-UHFFFAOYAJ
	\| SMILES1 = C=CC(=O)N		\| SMILES1 = C=CC(=O)O
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~348107~~		\| ChEMBL = 1213529
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C3H5NO~~/c1-2-3(4)5/h2H,1H2,(H2,4,5)		\| StdInChI = 1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~HRPVXLWXLXDGHG~~-UHFFFAOYSA-N		\| StdInChIKey = NIXOWILDQLNWCW-UHFFFAOYSA-N
	\| CASNo = 79-06-1		\| CASNo = 79-10-7
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| RTECS = AS4375000
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEBI~~ = ~~28619~~		\| PubChem = 6581
		⚫	}}
⚫	\| SMILES = O=C(C=C)N
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID=~~6331~~
	\| PubChem = 6579
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\|C=3\|H=~~5\|N=1~~\|O=1		\| C = 3 \| H = 4 \| O=2
	\| Appearance =		\| Appearance = clear, colorless liquid
	\| Density = 1.13 g/~~cm<sup>3</sup>~~		\| Density = 1.051 g/mL
		⚫	\| Solubility = Miscible
	\| MeltingPtC = 84.5
	\| ~~BoilingPt~~ = -		\| MeltingPtC = 14
			\| BoilingPtC = 141
	\| Boiling_notes = ]
			\| pKa = 4.35<ref>Dippy, J.F.J., Hughes, S.R.C., Rozanski, A., ''J. Chem Soc.'', '''1959''', 2492.</ref>
⚫	\| Solubility = ~~2.04 kg/L (25 °C)~~
			\| Viscosity = 1.3 ] at {{convert\|20\|°C\|F\|abbr=on}}
	}}		}}
	\| Section3={{Chembox Hazards		\| Section3 = {{Chembox Hazards
	\| GHSPictograms = {{GHSp\|GHS06}}{{GHSp\|GHS08}}<ref name="sigma">{{SigmaLink
			\| ExternalMSDS =
	\| Productgroup = Fluka
			\| MainHazards = Corrosive ('''C'''),<br />Dangerous for the<br />environment ('''N''')
	\| Productcode = 01700
			\| FlashPt = {{convert\|68\|°C\|F\|abbr=on}}
	\| Accessdate = June 6, 2011
			\| RPhrases = {{R10}} {{R20/21/22}} {{R35}} {{R50}}
	}}</ref>
		⚫	\| SPhrases = {{S26}} {{S36/37/39}} {{S45}} {{S61}}
	\| HPhrases = {{H-phrases\|301\|312\|315\|317\|319\|332\|340\|350\|361\|372}}<ref name="sigma" />
			}}
	\| PPhrases = {{P-phrases\|201\|280\|301+310\|305+351+338\|308+313}}<ref name="sigma" />
			\| Section4 = {{Chembox Related
	\| ExternalMSDS =
			\| OtherAnions = ]
	\| EUClass=Toxic ('''T''')<br/>{{Carc2}}<br/>{{Muta2}}<br/>{{Repr3}}
			\| Function = ]s
	\| EUIndex=616-003-00-0
			\| OtherFunctn = ]<br />]<br />]<br />]<br />]<br />]<br />]
	\| NFPA-H=3
			\| OtherCpds = ]<br />]<br />]<br />]
	\| NFPA-F=2
			}}
	\| NFPA-R=2
	\| RPhrases={{R45}}, {{R46}}, {{R20/21}},<br/>{{R25}}, {{R36/38}}, {{R43}},<br/>{{R48/23/24/25}}, {{R62}}
⚫	\| SPhrases={{~~S53~~}}, {{S45}}
	\| FlashPt=138 °C
	\| Autoignition=424 °C
	}}
	}}		}}

Revision as of 20:03, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473298789 of page Acrylic_acid with values updated to verified values.

Acrylic acid
Names
Skeletal formula

IUPAC name Prop-2-enoic acid
Other names acroleic acid ethylenecarboxylic acid propene acid propenoic acid vinylformic acid
Identifiers
CAS Number	79-10-7
3D model (JSmol)	Interactive image Interactive image
ChEBI	CHEBI:18308
ChEMBL	ChEMBL1213529
ChemSpider	6333
DrugBank	DB02579
KEGG	D03397
PubChem CID	6581
RTECS number	AS4375000
UNII	J94PBK7X8S
InChI InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)Key: NIXOWILDQLNWCW-UHFFFAOYSA-N InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)Key: NIXOWILDQLNWCW-UHFFFAOYAJ
SMILES O=C(O)C=C C=CC(=O)O
Properties
Chemical formula	C₃H₄O₂
Molar mass	72.063 g·mol
Appearance	clear, colorless liquid
Density	1.051 g/mL
Melting point	14 °C (57 °F; 287 K)
Boiling point	141 °C (286 °F; 414 K)
Solubility in water	Miscible
Acidity (pK_a)	4.35
Viscosity	1.3 cP at 20 °C (68 °F)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Corrosive (C), Dangerous for the environment (N)
Flash point	68 °C (154 °F)
Related compounds
Other anions	acrylate
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

Merck Index, 11th Edition, 124.
Dippy, J.F.J., Hughes, S.R.C., Rozanski, A., J. Chem Soc., 1959, 2492.