bromodiphenylphosphane

• ChemBase ID: 143158
• Molecular Formular: C12H10BrP
• Molecular Mass: 265.085561
• Monoisotopic Mass: 263.97034895
• SMILES: c1ccc(cc1)P(c1ccccc1)Br
• Canonical SMILES: BrP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H10BrP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: RZSMSXXOYMFIKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromodiphenylphosphane
• IUPAC Traditional name: bromodiphenylphosphane
• Synonyms: Diphenylphosphinous bromide; Bromodiphenylphosphine; 二苯基溴化膦; 二苯基溴膦

Database IDs

• CAS Number: 1079-65-8
• MDL Number: MFCD16621397
• PubChem SID: 162237380
• PubChem CID: 136851

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4395
• LogD (pH = 7.4): 4.4395
• Log P: 4.4395
• Molar Refractivity: 64.8838 cm^3
• Polarizability: 25.235624 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F
• Density: 1.40 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3129
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H314
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• RID/ADR: UN 3129 4.3/PG 2

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C12H10BrP

DETAILS

Sigma Aldrich - 707015

Packaging
5 g in glass bottle