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Revision as of 13:59, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443253163 of page 1,2,4-Trihydroxyanthraquinone for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 13:59, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 461589366 of page 1,2,4-Trimethylbenzene 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 = 443251912 | verifiedrevid = 444391152
| Reference=<ref>'']'', 11th Edition, '''7929'''</ref>
| ImageFile_Ref = {{chemboximage|correct|??}}
| Name = 1,2,4-Trimethylbenzene
| ImageFile = Purpurin.png
| ImageFileL1 = 1,2,4-Trimethylbenzene.svg
| ImageSize = 180px
| ImageSizeL1 = 105px
| ImageName = Skeletal formula | ImageNameL1 = Skeletal formula
| ImageFile1 = Purpurin-3D-balls.png
| ImageFileR1 = 1,2,4-Trimethylbenzene-3D-balls.png
| ImageSize1 = 200px
| ImageSizeR1 = 115px
| ImageName1 = Ball-and-stick model | ImageNameR1 = Ball-and-stick model
| IUPACName = 1,2,4-trihydroxyanthracene-9,10-dione
| ImageName = 1,2,4-Trimethylbenzene
| OtherNames = Purpurin(e), Hydroxylizaric acid
| IUPACName = 1,2,4-Trimethylbenzene
| OtherNames = Pseudocumene,<br />Asymmetrical trimethylbenzene,<br />psi-cumene
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI_Ref = {{ebicite|correct|EBI}} | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 8645 | ChEBI = 34039
| ChemSpiderID = 6431 | ChemSpiderID = 6977
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C10395 | KEGG = C14533
| InChI = 1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H | InChI = 1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
| InChIKey = GWHJZXXIDMPWGX-UHFFFAOYAF
| SMILES1 = O=C2c1ccccc1C(=O)c3c2c(O)cc(O)c3O
| InChIKey = BBNQQADTFFCFGB-UHFFFAOYAW
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 294264
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H | StdInChI = 1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = BBNQQADTFFCFGB-UHFFFAOYSA-N | StdInChIKey = GWHJZXXIDMPWGX-UHFFFAOYSA-N
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = <!-- blanked - oldvalue: 81-54-9 -->
| PubChem = 6683 | CASNo = 95-63-6
| SMILES = C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O}} | SMILES = c1c(ccc(c1C)C)C
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>14</sub>H<sub>8</sub>O<sub>5</sub> | Formula = C<sub>9</sub>H<sub>12</sub>
| MolarMass = 256.21 g/mol | MolarMass = 120.19 g/mol
| ExactMass = 256.037173 | Density = 0.8761 g/cm³
| MeltingPt = -43.78 °C
| Appearance =
⚫ | BoilingPt = 169-171 °C
| Density =
}}
| MeltingPtC = 259
| Melting_notes = <ref>''CRC Handbook of Chemistry & Physics'', 90th Ed.</ref>
⚫ | BoilingPt =
| Solubility = }}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| EUClass = Harmful (Xn); Dangerous for the environment (N)
| MainHazards =
| ExternalMSDS = }}
| FlashPt =
| Autoignition = }}
}} }}

Revision as of 13:59, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 461589366 of page 1,2,4-Trimethylbenzene with values updated to verified values.
1,2,4-Trimethylbenzene
Skeletal formula
Skeletal formula
Ball-and-stick model
Ball-and-stick model
Names
IUPAC name 1,2,4-Trimethylbenzene
Other names Pseudocumene,
Asymmetrical trimethylbenzene,
psi-cumene
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
KEGG
InChI
  • InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3Key: GWHJZXXIDMPWGX-UHFFFAOYSA-N
  • InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3Key: GWHJZXXIDMPWGX-UHFFFAOYAF
SMILES
  • c1c(ccc(c1C)C)C
Properties
Chemical formula C9H12
Molar mass 120.19 g/mol
Density 0.8761 g/cm³
Melting point -43.78 °C
Boiling point 169-171 °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. Merck Index, 11th Edition, 7929