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Revision as of 17:01, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476654884 of page 2,4,6-Tribromophenol for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 17:01, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 475927888 of page 2,4,6-Trichloroanisole 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
			\| Verifiedimages = changed
	\| verifiedrevid = ~~443646840~~		\| verifiedrevid = 443263598
	\| ImageFileL1=2,4,6-Tribromophenol.png
			\| Name = '''2,4,6-Trichloroanisole'''
	\| ImageFileR1=2,4,6-Tribromophenol-3D-balls.png
			\| ImageFile_Ref = {{chemboximage\|changed\|??}}
	\| ImageSizeL1=150px
			\| ImageFile = 2,4,6-Trichloroanisole.svg
	\| ImageSizeR1=150px
			\| ImageSize = 120px
⚫	\| IUPACName=2,4,6-~~Tribromophenol~~
			\| ImageName = Chemical structure of 2,4,6-trichloroanisole
	\| OtherNames=Tribromophenol; 2,4,6-TBP; TBP
		⚫	\| IUPACName = 2,4,6-Trichloroanisole
⚫	\| Section1={{Chembox Identifiers
			\| OtherNames = TCA
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| Section1 = {{Chembox Identifiers
⚫	\| ChemSpiderID = ~~1438~~
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 19333
		⚫	\| ChemSpiderID = 6620
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~C14454~~		\| KEGG = C11510
	\| InChI = 1/~~C6H3Br3O~~/c7-3-1-4(8)6(10~~)5(9)2-3~~/h1-2,~~10H~~		\| InChI = 1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
			\| SMILES1 = Clc1cc(Cl)cc(Cl)c1OC
	\| InChIKey = BSWWXRFVMJHFBN-UHFFFAOYAF
			\| InChIKey = WCVOGSZTONGSQY-UHFFFAOYAT
⚫	\| ~~ChEMBL_Ref~~ = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 220087
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C6H3Br3O~~/c7-3-1-4(8)6(10~~)5(9)2-3~~/h1-2,~~10H~~		\| StdInChI = 1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~BSWWXRFVMJHFBN~~-UHFFFAOYSA-N		\| StdInChIKey = WCVOGSZTONGSQY-UHFFFAOYSA-N
			\| CASNo = <!-- blanked - oldvalue: 87-40-1 -->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| SMILES = COc1c(Cl)cc(Cl)cc1Cl
	\| CASNo=118-79-6
			\| RTECS = MFCD00000588
	\| PubChem=1483
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB02417
⚫	\| SMILES = ~~Brc1cc~~(Br)cc(Br)~~c1O~~
⚫	}}
	\| Section2={{Chembox Properties
	\| C=6\|H=3\|Br=3\|O=1
	\| Appearance=White needles or prisms<ref name=Gardner>"'''3851''': Tribromophenol" in ''Gardner's Commercially Important Chemicals: Synonyms, Trade Names, and Properties'', G. W. A. Milne (Editor), ISBN 978-0471735182, page 632</ref>
⚫	\| Density=
	\| MeltingPt=95.5 °C<ref name=Gardner/>
	\| BoilingPt=244 °C<ref name="Merck">'']'', 11th Edition, '''9526'''</ref><br>286 °C<ref name=Gardner/>
	\| Solubility=Slightly soluble<ref name=Gardner/><br>59-61 mg/L<ref name=Inchem>, International Programme on Chemical Safety</ref>
	}}		}}
	\| ~~Section3~~={{Chembox ~~Hazards~~		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>7</sub>H<sub>5</sub>Cl<sub>3</sub>O
	\| MainHazards=
			\| MolarMass = 211.47 g/mol
	\| FlashPt=
		⚫	\| Density =
	\| Autoignition=
			\| MeltingPt = 60-62 °C
	\| LD50 = 2000 mg/kg (rat, oral)<ref name=Gardner/>
			\| BoilingPt = 140 °C at 28 torr
		⚫	}}
			\| Section7 = {{Chembox Hazards
			\| RPhrases = {{R22}} {{R36}}
			\| SPhrases = {{S26}}
	}}		}}
	}}		}}

Revision as of 17:01, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 475927888 of page 2,4,6-Trichloroanisole with values updated to verified values.

**2,4,6-Trichloroanisole**
Names

IUPAC name 2,4,6-Trichloroanisole
Other names TCA
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChEBI	CHEBI:19333
ChemSpider	6620
KEGG	C11510
RTECS number	MFCD00000588
InChI InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3Key: WCVOGSZTONGSQY-UHFFFAOYSA-N InChI=1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3Key: WCVOGSZTONGSQY-UHFFFAOYAT
SMILES COc1c(Cl)cc(Cl)cc1Cl Clc1cc(Cl)cc(Cl)c1OC
Properties
Chemical formula	C₇H₅Cl₃O
Molar mass	211.47 g/mol
Melting point	60-62 °C
Boiling point	140 °C at 28 torr
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