(2-bromophenyl)diphenylphosphane

• ChemBase ID: 142714
• Molecular Formular: C18H14BrP
• Molecular Mass: 341.181521
• Monoisotopic Mass: 340.00164908
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1Br
• Canonical SMILES: Brc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H14BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
• InChIKey: XIONUQPOXCUMMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromophenyl)diphenylphosphane
• IUPAC Traditional name: (2-bromophenyl)diphenylphosphane
• Synonyms: 2-(Diphenylphosphino)-1-bromobenzene; (2-Bromophenyl)diphenylphosphine; (2-溴苯基)二苯基膦

Database IDs

• CAS Number: 62336-24-7
• EC Number: 263-515-1
• MDL Number: MFCD00045014
• PubChem SID: 162236940
• PubChem CID: 112836

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8984
• LogD (pH = 7.4): 5.8984
• Log P: 5.8984
• Molar Refractivity: 89.2457 cm^3
• Polarizability: 34.875126 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 112-116 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37
• Safety Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H14BrP

DETAILS

Sigma Aldrich - 698482

Packaging
500 mg in glass bottle