dibromotriphenyl-λ5-phosphane

• ChemBase ID: 150897
• Molecular Formular: C18H15Br2P
• Molecular Mass: 422.093461
• Monoisotopic Mass: 419.92781111
• SMILES: c1ccc(cc1)P(c1ccccc1)(c1ccccc1)(Br)Br
• Canonical SMILES: BrP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
• InChI: InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromotriphenyl-λ^5-phosphane
• IUPAC Traditional name: dibromotriphenyl-λ^5-phosphane
• Synonyms: Bromotriphenylphosphonium bromide; Dibromotriphenylphosphorane; Triphenylphosphine dibromide; 二溴三苯基正膦; 二溴化三苯基膦; 二溴三苯基膦

Database IDs

• CAS Number: 1034-39-5
• EC Number: 213-855-1
• MDL Number: MFCD00000054
• Beilstein Number: 917652
• PubChem SID: 24856415; 162245057
• PubChem CID: 70579

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9768
• LogD (pH = 7.4): 6.9768
• Log P: 6.9768
• Molar Refractivity: 99.0933 cm^3
• Polarizability: 38.211952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 235 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 96%
• Linear Formula: (C6H5)3PBr2

DETAILS

Sigma Aldrich - 270946

Packaging
5, 25 g in glass bottle
Application
Reagent used in the preparation of alkyl and aryl bromides from alcohols1,2 and phenols3 without rearrangement.