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Revision as of 17:00, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 429508070 of page 2,3-Oxidosqualene for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 17:00, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443344821 of page 2,4,6-Tribromoanisole 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
| verifiedrevid = 399199419 | verifiedrevid = 443342532
|Reference=<ref> at ]</ref>
|ImageFile=2,3-oxidosqualene.svg |ImageFile=2,4,6-tribromoanisole.png
|ImageSize=300px |ImageSize=150px
|IUPACName=2,2-Dimethyl-3-oxirane
|IUPACName=1,3,5-Tribromo-2-methoxybenzene
|OtherNames=Squalene oxide<br>2,3-Squalene oxide
|OtherNames=Tribromoanisole; TBA
|Section1= {{Chembox Identifiers |Section1={{Chembox Identifiers
| InChI = 1/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| InChIKey = QYIMSPSDBYKPPY-BANQPHDMBU
| ChEBI_Ref = {{ebicite|correct|EBI}}
| SMILES1 = CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/C)C
| ChEBI = 38703
⚫ | ChemSpiderID = 11345
| InChI = 1/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
| InChIKey = YEULQIJMIOWCHB-UHFFFAOYAR
| SMILES1 = O=C(OC(C)C)c1ccccc1O
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+ | StdInChI = 1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QYIMSPSDBYKPPY-BANQPHDMSA-N | StdInChIKey = YEULQIJMIOWCHB-UHFFFAOYSA-N
| CASNo = <!-- blanked - oldvalue: 7200-26-2 --> | CASNo = <!-- blanked - oldvalue: 607-99-8 -->
| PubChem=5366020 | PubChem=11839
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = DO7M3M4LX5
⚫ | ChemSpiderID = 4517951
| SMILES = O1C(C)(C)C1CC/C(=C/CC/C(=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C)C | SMILES=COC1=C(C=C(C=C1Br)Br)Br
| MeSHName=2,3-oxidosqualene
}} }}
|Section2= {{Chembox Properties |Section2={{Chembox Properties
| Formula=C<sub>30</sub>H<sub>50</sub>O | Formula=C<sub>7</sub>H<sub>5</sub>Br<sub>3</sub>O
| MolarMass=426.717 g/mol | MolarMass=344.826
| Appearance= | Appearance=
| Density= | Density=
| MeltingPt= | MeltingPt=84-88 °C
| BoilingPt= | BoilingPt=297-299 °C
| Solubility= | Solubility=
}} }}
|Section3= {{Chembox Hazards |Section3={{Chembox Hazards
| MainHazards= | MainHazards=
| FlashPt= | FlashPt=

Revision as of 17:00, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 443344821 of page 2,4,6-Tribromoanisole with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1,3,5-Tribromo-2-methoxybenzene
Other names Tribromoanisole; TBA
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3Key: YEULQIJMIOWCHB-UHFFFAOYSA-N
  • InChI=1/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3Key: YEULQIJMIOWCHB-UHFFFAOYAR
SMILES
  • COC1=C(C=C(C=C1Br)Br)Br
  • O=C(OC(C)C)c1ccccc1O
Properties
Chemical formula C7H5Br3O
Molar mass 344.826
Melting point 84-88 °C
Boiling point 297-299 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. 2,4,6-Tribromoanisole at Sigma-Aldrich