Cas no 70264-72-1 (Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide)
70264-72-1 structure
Product Name:Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide
CAS No:70264-72-1
MF:C27H26BrOP
MW:477.372507572174
CID:547511
PubChem ID:71404988
Update Time:2025-04-19
Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide Chemical and Physical Properties
Names and Identifiers
-
- Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide
- (3-methoxy-2-methylphenyl)methyl-triphenylphosphanium,bromide
- 70264-72-1
- DTXSID60825796
- [(3-Methoxy-2-methylphenyl)methyl](triphenyl)phosphanium bromide
-
- Inchi: 1S/C27H26OP.BrH/c1-22-23(13-12-20-27(22)28-2)21-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26;/h3-20H,21H2,1-2H3;1H/q+1;/p-1
- InChI Key: ZXLPKHBVOLEBDY-UHFFFAOYSA-M
- SMILES: [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC1C=CC=C(C=1C)OC
Computed Properties
- Exact Mass: 449.887
- Monoisotopic Mass: 476.09047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 427
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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