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Revision as of 13:59, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 461589366 of page 1,2,4-Trimethylbenzene for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 14:00, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 430733072 of page 1,2,4-Trioxane 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 = 444391152 | verifiedrevid = 399179189
| Name = 1,2,4-Trioxane
| Reference=<ref>'']'', 11th Edition, '''7929'''</ref>
| Name = 1,2,4-Trimethylbenzene | ImageFile = 1,2,4-Trioxane.png
| ImageSize = 80px
| ImageFileL1 = 1,2,4-Trimethylbenzene.svg
| ImageSizeL1 = 105px | ImageName = 1,2,4-Trioxane
| ImageNameL1 = Skeletal formula | IUPACName = 1,2,4-Trioxane
| ImageFileR1 = 1,2,4-Trimethylbenzene-3D-balls.png
| ImageSizeR1 = 115px
| ImageNameR1 = Ball-and-stick model
| ImageName = 1,2,4-Trimethylbenzene
| IUPACName = 1,2,4-Trimethylbenzene
| OtherNames = Pseudocumene,<br />Asymmetrical trimethylbenzene,<br />psi-cumene
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| SMILES = C1COCOO1
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 10629025
| ChEBI_Ref = {{ebicite|correct|EBI}}
| InChI = 1/C3H6O3/c1-2-5-6-3-4-1/h1-3H2
| ChEBI = 34039
| SMILES1 = C1OCCOO1
| ChemSpiderID = 6977
| InChIKey = FQERLIOIVXPZKH-UHFFFAOYAX
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C14533
| InChI = 1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
| InChIKey = GWHJZXXIDMPWGX-UHFFFAOYAF
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 | StdInChI = 1S/C3H6O3/c1-2-5-6-3-4-1/h1-3H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = GWHJZXXIDMPWGX-UHFFFAOYSA-N | StdInChIKey = FQERLIOIVXPZKH-UHFFFAOYSA-N
| CASNo = <!-- blanked - oldvalue: 7049-17-4 -->
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 95-63-6 | RTECS =
}}
| SMILES = c1c(ccc(c1C)C)C
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=3|H=6|O=3
| Formula = C<sub>9</sub>H<sub>12</sub>
| MolarMass = 120.19 g/mol | Appearance =
| Density = 0.8761 g/cm³ | Density =
| MeltingPt = -43.78 °C | Solubility =
| BoilingPt = 169-171 °C | MeltingPt =
| BoilingPt =
}}
| Section7 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| RPhrases =
| SPhrases =
}}
| Section8 = {{Chembox Related
| OtherCpds = ]<br />]
}} }}
| Section3 = {{Chembox Hazards
| EUClass = Harmful (Xn); Dangerous for the environment (N)
| ExternalMSDS = }}
}} }}

Revision as of 14:00, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 430733072 of page 1,2,4-Trioxane with values updated to verified values.
1,2,4-Trioxane
1,2,4-Trioxane
1,2,4-Trioxane
Names
IUPAC name 1,2,4-Trioxane
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C3H6O3/c1-2-5-6-3-4-1/h1-3H2Key: FQERLIOIVXPZKH-UHFFFAOYSA-N
  • InChI=1/C3H6O3/c1-2-5-6-3-4-1/h1-3H2Key: FQERLIOIVXPZKH-UHFFFAOYAX
SMILES
  • C1COCOO1
  • C1OCCOO1
Properties
Chemical formula C3H6O3
Molar mass 90.078 g·mol
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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