benzoyl bromide

• ChemBase ID: 109051
• Molecular Formular: C7H5BrO
• Molecular Mass: 185.018
• Monoisotopic Mass: 183.95237678
• SMILES: BrC(=O)c1ccccc1
• Canonical SMILES: BrC(=O)c1ccccc1
• InChI: InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
• InChIKey: AQIHMSVIAGNIDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzoyl bromide
• IUPAC Traditional name: benzoyl bromide
• Synonyms: Benzoyl bromide; BENZOYL BROMIDE; 苯甲酰溴

Database IDs

• CAS Number: 618-32-6
• EC Number: 210-544-2
• MDL Number: MFCD00000112
• Beilstein Number: 1855439
• PubChem SID: 24848428; 24847896; 162094921
• PubChem CID: 12056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3142111
• LogD (pH = 7.4): 2.3142111
• Log P: 2.3142111
• Molar Refractivity: 39.7716 cm^3
• Polarizability: 14.998093 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 218-219 °C(lit.)
• Flash Point: 194 °F; 90 °C
• Density: 1.57 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.589; n20/D 1.589(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0% (AT); 95+%; 97%
• Grade: purum
• Linear Formula: C6H5COBr

DETAILS

MP Biomedicals - 05209639

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 139726

Packaging
50, 250 g in glass bottle

Sigma Aldrich - 12929

Caution
may discolor to brown-yellow on storage