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

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Revision as of 16:18, 9 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469541539 of page Malachite_green for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 16:19, 9 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469565256 of page Ethyl_methanesulfonate for the Chem/Drugbox validation project (updated: 'KEGG').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
⚫	\| verifiedrevid = ~~438218601~~
			\| Watchedfields = changed
	\| ImageFile =Malachite green structure.svg
		⚫	\| verifiedrevid = 415323682
⚫	\| ImageSize =
			\| Reference = <ref>'']'', 11th Edition, '''3782'''.</ref>
	\| ImageFile1 = Malachite green oxalate.jpg
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| IUPACName = 4--''N'',''N''-dimethylaniline
			\| ImageFile = Ethyl-mesylate-2D-skeletal.svg
	\| OtherNames = Aniline green; Basic green 4; Diamond green B; Victoria green B
		⚫	\| ImageSize = 180px
			\| ImageName = Skeletal formula
			\| ImageFile1 = Ethyl-mesylate-3D-balls.png
			\| ImageSize1 =
			\| ImageName1 = Ball-and-stick model
			\| IUPACName = 1-Methylsulfonyloxyethane
			\| OtherNames = Ethyl mesylate<br>Ethyl methanesulphonate
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| Abbreviations = EMS
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~10820~~		\| ChemSpiderID = 5887
			\| InChIKey = PLUBXMRUUVWRLT-UHFFFAOYAM
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~186357~~		\| ChEMBL = 338686
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}
	\| UNII = 12058M7ORO
	\| InChI = 1/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
	\| InChIKey = FDZZZRQASAIRJF-REWHXWOFAA
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C23H25N2.ClH~~/c1-~~24(2)21-14-10-19(11-15-21)23(18-8~~-6-5-7~~-9-18)20-12-16-22~~(~~17-13-20~~)~~25(3)4;~~/~~h5-17H~~,1-~~4H3;1H/q+1;/p-1~~		\| StdInChI = 1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~FDZZZRQASAIRJF~~-UHFFFAOYSA-M		\| StdInChIKey = PLUBXMRUUVWRLT-UHFFFAOYSA-N
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo = 62-50-0
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~CASNo~~ = ~~569-64-2~~		\| EINECS =
	\| PubChem = ~~11294~~		\| PubChem = 6113
	\| SMILES = ~~CN(C)c1ccc(cc1)C(~~=~~C2C=CC~~(=(C)C~~)C=C2)c3ccccc3.~~		\| SMILES = O=S(=O)(OCC)C
			\| InChI = 1/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
	\| ATCvet = yes
			\| RTECS =
⚫	\| ATCCode_prefix = ~~P53~~
			\| MeSHName =
⚫	\| ATCCode_suffix = ~~AX16~~
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	}}
			\| ChEBI =
			\| KEGG_Ref = {{keggcite\|changed\|kegg}}
			\| KEGG = <!-- blanked - oldvalue: C19239 -->
		⚫	\| ATCCode_prefix =
		⚫	\| ATCCode_suffix =
			\| ATC_Supplemental =}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = C<sub>23</sub>H<sub>25</sub>~~ClN~~<sub>2</sub> ~~(chloride)~~		\| Formula = CH<sub>3</sub>SO<sub>3</sub>C<sub>2</sub>H<sub>5</sub>
	\| MolarMass = ~~364~~.~~911~~ g/mol ~~(chloride)~~		\| MolarMass =124.16 g/mol
	\| Appearance =		\| Appearance = Clear colorless liquid
	\| Density =		\| Density = 1.1452 g/cm<sup>3</sup> (22 °C)
	\| MeltingPt =		\| MeltingPt = < 25 °C
	\| ~~BoilingPt~~ =		\| Melting_notes =
			\| BoilingPt = 213–213.5 °C, 486.2-486.7 K
⚫	\| Solubility =
			\| Boiling_notes =
	}}
		⚫	\| Solubility =
⚫	\| ~~Section3~~ = {{Chembox Hazards
	\| ~~MainHazards~~ =		\| SolubleOther =
	\| ~~FlashPt~~ =		\| Solvent =
	\| ~~Autoignition~~ =		\| pKa =
	}}		\| pKb = }}
		⚫	\| Section7 = {{Chembox Hazards
			\| EUClass =
			\| EUIndex =
			\| MainHazards =
			\| NFPA-H = 1
			\| NFPA-F = 1
			\| NFPA-R = 0
			\| NFPA-O =
			\| RPhrases =
			\| SPhrases =
			\| RSPhrases =
			\| FlashPt =
			\| Autoignition =
			\| ExploLimits =
			\| PEL = }}
	}}		}}

Revision as of 16:19, 9 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 469565256 of page Ethyl_methanesulfonate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name 1-Methylsulfonyloxyethane
Other names Ethyl mesylate Ethyl methanesulphonate
Identifiers
CAS Number	62-50-0
3D model (JSmol)	Interactive image
Abbreviations	EMS
ChEMBL	ChEMBL338686
ChemSpider	5887
PubChem CID	6113
InChI InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3Key: PLUBXMRUUVWRLT-UHFFFAOYSA-N InChI=1/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3Key: PLUBXMRUUVWRLT-UHFFFAOYAM
SMILES O=S(=O)(OCC)C
Properties
Chemical formula	CH₃SO₃C₂H₅
Molar mass	124.16 g/mol
Appearance	Clear colorless liquid
Density	1.1452 g/cm (22 °C)
Melting point	< 25 °C
Boiling point	213–213.5 °C, 486.2-486.7 K
Hazards
NFPA 704 (fire diamond)	1 1 0
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

Merck Index, 11th Edition, 3782.