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Revision as of 18:45, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 465110842 of page 8A-PDHQ for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 18:46, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462693553 of page 9,10-Bis(phenylethynyl)anthracene 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|drugbox}}) 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.}}
{{Drugbox {{chembox
| verifiedrevid = 448189696 | verifiedrevid = 443358219
| ImageFile = 9,10-bis(phenylethynyl)anthracene.svg
| IUPAC_name = 8a-phenyldecahydroquinoline
| ImageSize = 250px
| image = Phenyldecahydroquinoline.svg
| ImageName = Skeletal formula
| width = 150
| ImageFile1 = 9,10-Bis(phenylethynyl)anthracene-3D-balls.png

| ImageSize1 = 250px
<!--Clinical data-->
| ImageName1 = Ball-and-stick model
| tradename =
| IUPACName = 9,10-Bis(2-phenylethynyl)anthracene
| routes_of_administration =
| OtherNames = 9,10-Bis(phenylethynyl)anthracene, BPEA

| Section1 = {{Chembox Identifiers
<!--Pharmacokinetic data-->
| InChI = 1/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H
| metabolism =
| InChIKey = ZHBOFZNNPZNWGB-UHFFFAOYAU
| elimination_half-life =
| excretion =

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|correct|??}}
⚫ | CAS_number = <!-- blanked - oldvalue: 131556-11-1 -->
⚫ | PubChem = 131397
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 116144

<!--Chemical data-->
| C=15 | H=21 | N=1
| molecular_weight = 215.3339 g/mol
| smiles = c1ccccc1C32NCCCC2CCCC3
| InChI = 1/C15H21N/c1-2-7-13(8-3-1)15-11-5-4-9-14(15)10-6-12-16-15/h1-3,7-8,14,16H,4-6,9-12H2
| InChIKey = QEXADSRMRUUCQJ-UHFFFAOYAG
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C15H21N/c1-2-7-13(8-3-1)15-11-5-4-9-14(15)10-6-12-16-15/h1-3,7-8,14,16H,4-6,9-12H2 | StdInChI = 1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QEXADSRMRUUCQJ-UHFFFAOYSA-N | StdInChIKey = ZHBOFZNNPZNWGB-UHFFFAOYSA-N
⚫ | CASNo = <!-- blanked - oldvalue: 10075-85-1 -->
| EINECS = 233-210-8
⚫ | PubChem = 82338
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 51675
| SMILES = C(#Cc1ccccc1)c4c2ccccc2c(C#Cc3ccccc3)c5ccccc45
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 74309
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>30</sub>H<sub>18</sub>
| MolarMass = 378.473 g/mol
| Appearance = Orange needle crystals
| Density =
| MeltingPt = 252 - 258 °C
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards = Irritant ('''Xi''')
| FlashPt =
| Autoignition =
| RPhrases = {{R36/37/38}}
| SPhrases = {{S26}} {{S36}} {{S37/39}} {{S45}} {{S28}}A
}}
}} }}

Revision as of 18:46, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 462693553 of page 9,10-Bis(phenylethynyl)anthracene with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula
Ball-and-stick model
Names
IUPAC name 9,10-Bis(2-phenylethynyl)anthracene
Other names 9,10-Bis(phenylethynyl)anthracene, BPEA
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
EC Number
  • 233-210-8
PubChem CID
InChI
  • InChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18HKey: ZHBOFZNNPZNWGB-UHFFFAOYSA-N
  • InChI=1/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18HKey: ZHBOFZNNPZNWGB-UHFFFAOYAU
SMILES
  • C(#Cc1ccccc1)c4c2ccccc2c(C#Cc3ccccc3)c5ccccc45
Properties
Chemical formula C30H18
Molar mass 378.473 g/mol
Appearance Orange needle crystals
Melting point 252 - 258 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Irritant (Xi)
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