| Revision as of 16:04, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476141684 of page 1,2,3-Trichloropropane for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 16:04, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443243242 of page 1,2,3-Trimethylbenzene for the Chem/Drugbox validation project (updated: '').Next edit → |
| Line 1: |
Line 1: |
|
{{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 = 443241783 |
|
| Verifiedfields = changed |
|
|
|
| ImageFileL1 = Hemellitol.svg |
|
| verifiedrevid = 456494356 |
|
|
|
| ImageSizeL1 = 100px |
|
| Name = 1,2,3-Trichloropropane |
|
|
| ImageFile1 = 1,2,3-trichloropropane.svg |
|
| ImageFileR1 = 1,2,3-Trimethylbenzene-3D-balls.png |
|
| ImageSize1 = 200px |
|
| ImageSizeR1 = 120px |
|
| ImageFile2 = 1,2,3-Trichloropropane-3D-balls.png |
|
| IUPACName = 1,2,3-Trimethylbenzene |
|
|
| OtherNames = Hemellitol; Hemimellitol, Hemimelithol; Hemimellitine; Hemimellitene |
|
| ImageSize2 = 200px |
|
|
| ImageAlt = |
|
|
| ImageCaption = Trichloropropane |
|
|
| IUPACName = 1,2,3-Trichloropropane |
|
|
| SystematicName = Trichloropropane |
|
|
| OtherNames = TCP; Allyl trichloride; Glycerol trichlorohydrin; Trichlorohydrin |
|
|
| Section1 = {{Chembox Identifiers |
|
| Section1 = {{Chembox Identifiers |
|
| Abbreviations = TCP |
|
| CASNo = 526-73-8 |
|
|
| PubChem = 10686 |
|
| CASNo = <!-- blanked - oldvalue: 96-18-4 --> |
|
|
| CASNo_Comment = |
|
|
| CASNo_Ref = {{cascite|changed|??}} |
|
|
| CASNos = |
|
|
| CASOther = |
|
|
| ChEMBL_Ref = {{ebicite|correct|EBI}} |
|
|
| ChEMBL = 346933 |
|
|
| PubChem = |
|
|
| PubChem_Comment = |
|
|
| PubChem5 = |
|
|
| PubChem5_Comment = |
|
|
| PubChemOther = |
|
|
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|
|
| ChemSpiderID = 7013 |
|
|
| ChemSpiderID_Comment = |
|
|
| ChemSpiderID5 = |
|
|
| ChemSpiderIDOther = |
|
|
| EINECS = 202-486-1 |
|
|
| EC-number = |
|
|
| EINECSCASNO = |
|
|
| UNNumber = |
|
|
| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
|
|
| DrugBank = |
|
|
| KEGG_Ref = {{keggcite|correct|kegg}} |
|
|
| KEGG = |
|
|
| MeSHName = |
|
|
| ChEBI_Ref = {{ebicite|correct|EBI}} |
|
| ChEBI_Ref = {{ebicite|correct|EBI}} |
|
| ChEBI = |
|
| ChEBI = 34037 |
|
|
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
| RTECS = |
|
|
|
| StdInChI = 1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 |
|
| ATCvet = |
|
|
| ATCCode_prefix = |
|
|
| ATCCode_suffix = |
|
|
| ATC_Supplemental = |
|
|
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
|
| StdInChI = 1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 |
|
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey = CFXQEHVMCRXUSD-UHFFFAOYSA-N |
|
| StdInChIKey = FYGHSUNMUKGBRK-UHFFFAOYSA-N |
|
|
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|
| SMILES = |
|
|
| InChI = |
|
| ChemSpiderID = 10236 |
|
| Beilstein = |
|
| RTECS = DC3300000 |
|
|
| SMILES = c1(cccc(c1C)C)C |
|
| Gmelin = |
|
|
|
| InChI = InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 |
|
| KEGG_Ref = {{keggcite|correct|kegg}} |
|
|
|
}} |
|
| KEGG = C14400 |
|
|
| 3DMet =}} |
|
|
| Section2 = {{Chembox Properties |
|
| Section2 = {{Chembox Properties |
|
|
| C=9|H=12 |
|
| Formula = {{chem|C|3|H|5|Cl|3}} |
|
|
| MolarMass = 147.43 g |
|
| Appearance = |
|
|
| Density = 0.894 g/mL |
|
| Appearance = colorless or straw yellow transparent liquid |
|
|
|
| MeltingPtC = −25 |
|
| Density = 1.38g mol<sup>-1</sup> |
|
|
| MeltingPtC = -14 |
|
| BoilingPtCL = 175 |
|
| Melting_notes = |
|
| BoilingPtCH = 176 |
|
| BoilingPtC = 156.85 |
|
| Solubility = |
|
|
}} |
|
| Boiling_notes = |
|
|
|
| Section3 = {{Chembox Hazards |
|
| LogP = 2.27 |
|
|
| VaporPressure = 3.1 |
|
| MainHazards = |
|
|
| FlashPt = {{convert|119|F|C}} |
|
| HenryConstant = 4.087 x 10<sup>-4</sup> |
|
|
|
| Autoignition = |
|
| AtmosphericOHRateConstant = |
|
|
| pKa = |
|
| RPhrases = {{R10}} {{R37}} |
|
| pKb = |
|
| SPhrases = {{S16}} |
|
|
}} |
|
| Sheet Resistance = |
|
|
| Methacrylate Equiv Wt = |
|
|
| Bulk Conductivity = }} |
|
|
| Section3 = {{Chembox Structure |
|
|
| CrystalStruct = |
|
|
| Coordination = |
|
|
| MolShape = }} |
|
|
| Section4 = {{Chembox Thermochemistry |
|
|
| Solubility = 1,750 mg/L |
|
|
| SolubleOther = |
|
|
| Solvent = = |
|
|
| DeltaHc = |
|
|
| DeltaHf |
|
|
| Entropy = |
|
|
| HeatCapacity = }} |
|
|
| Section7 = {{Chembox Hazards |
|
|
| ExternalMSDS = |
|
|
| EUClass = |
|
|
| EUIndex = |
|
|
| MainHazards = |
|
|
| NFPA-H = |
|
|
| NFPA-F = |
|
|
| NFPA-R = |
|
|
| NFPA-O = |
|
|
| RPhrases = |
|
|
| SPhrases = |
|
|
| RSPhrases = |
|
|
| FlashPt = |
|
|
| Autoignition = |
|
|
| ExploLimits = |
|
|
| LD50 = |
|
|
| PEL = }} |
|
|
| Section8 = {{Chembox Related |
|
|
| OtherAnions = |
|
|
| OtherCations = |
|
|
| OtherFunctn = |
|
|
| Function = |
|
|
| OtherCpds = }} |
|
|
}} |
|
}} |
Y verify (what is ?)
Infobox references
