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Revision as of 12:10, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 400848855 of page Phenyl-2-nitropropene for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 12:10, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 438224066 of page Phenyl-C61-butyric_acid_methyl_ester 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
| Watchedfields = changed
| verifiedrevid = 400847595 | verifiedrevid = 428240663
| Name = 1-Phenyl-2-nitropropene
| ImageFile = Phenyl-2-nitropropene.svg | ImageFile = PCBM.png
| ImageName = right | ImageSize = 244
| ImageName = Structural formula of phenyl-C61-butyric acid methyl ester
| IUPACName = 1-Phenyl-2-nitropropene
| PIN = Phenyl-C61-butyric acid methyl ester
| OtherNames = P2NP, β-methyl-β-nitropropene, (2-Nitro-1-propenyl)benzene
| SystematicName =
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| InChIKey1 = FIGVSQKKPIKBST-UHFFFAOYSA-N
| ChemSpiderID = 21170152
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 1266396 | InChI =
| PubChem = 1549520 | InChI1 =
| SMILES = COC(=O)CCCC1(C23=C14c5c6c7c8c9c1c%10c%11c%12c%13c%14c%10c%10c9c7c7c5c5c2c2c9c%15c(c%13c%13c%12c%12c%16c%11c1c1c8c8c6c4c4c6c8c1c%16c1c%12c8c%13c%15c%11c8c(c16)c4c3c%112)c1c%14c%10c7c5c19)c1ccccc1
| InChI = 1/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = WGSVFWFSJDAYBM-BQYQJAHWBX
| StdInChI = 1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-58-50-40-30-22-14-12-13-16-20-18(14)26-34-28(20)38-32-24(16)25-17(13)21-19-15(12)23(22)31-37-27(19)35-29(21)39-33(25)43-42(32)52-46(38)56-48(34)54(44(50)36(26)30)62(66)64(56)68-60(52)61-53(43)47(39)57-49(35)55-45(37)51(41(31)40)59(58)67(71)63(55)65(57)69(61)72(68,70)71/h2-4,6-7H,5,8-9H2,1H3
| SMILES = (=O)/C(=C/c1ccccc1)C
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = FIGVSQKKPIKBST-UHFFFAOYSA-N
| StdInChI = 1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
⚫ }}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = WGSVFWFSJDAYBM-BQYQJAHWSA-N
| CASNo = <!-- blanked - oldvalue: 705-60-2 -->
| CASOther=<ref name="Alfa"></ref>
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 72
| Formula = C<sub>9</sub>H<sub>9</sub>NO<sub>2</sub>
| H = 14
⚫ | MolarMass = 163.17 g mol<sup>−1</sup>
| Appearance = solid | O = 2
⚫ | ExactMass = 910.099379692 g mol<sup>−3</sup>}}
| MeltingPt = 64-66 °C
}}
| Section7 = {{Chembox Hazards
| EUClass = Harmful ('''Xn''')
| RPhrases = {{R22}}, {{R36/37/38}}
}}
}} }}

Revision as of 12:10, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 438224066 of page Phenyl-C61-butyric_acid_methyl_ester with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Structural formula of phenyl-C61-butyric acid methyl ester
Names
Preferred IUPAC name Phenyl-C61-butyric acid methyl ester
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-58-50-40-30-22-14-12-13-16-20-18(14)26-34-28(20)38-32-24(16)25-17(13)21-19-15(12)23(22)31-37-27(19)35-29(21)39-33(25)43-42(32)52-46(38)56-48(34)54(44(50)36(26)30)62(66)64(56)68-60(52)61-53(43)47(39)57-49(35)55-45(37)51(41(31)40)59(58)67(71)63(55)65(57)69(61)72(68,70)71/h2-4,6-7H,5,8-9H2,1H3Key: FIGVSQKKPIKBST-UHFFFAOYSA-N
  • Key: FIGVSQKKPIKBST-UHFFFAOYSA-N
SMILES
  • COC(=O)CCCC1(C23=C14c5c6c7c8c9c1c%10c%11c%12c%13c%14c%10c%10c9c7c7c5c5c2c2c9c%15c(c%13c%13c%12c%12c%16c%11c1c1c8c8c6c4c4c6c8c1c%16c1c%12c8c%13c%15c%11c8c(c16)c4c3c%112)c1c%14c%10c7c5c19)c1ccccc1
Properties
Chemical formula C72H14O2
Molar mass 910.902 g·mol
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