Benzoyl bromide, 3-bromo-
Basic information
- CAS
618-44-0- Standard SMILES
O=C(Br)c1cccc(Br)c1- InChIKey
PFABNMHNELCDLT-UHFFFAOYSA-N- Molecular formula
- C7H4Br2O
- Average molar mass
- 263.91 g/mol
- Monoisotopic mass
- 261.86289
Names & identifiers
- Preferred name
- Benzoyl bromide, 3-bromo-
- IUPAC
- 3-bromobenzoyl bromide
- English name
- 3-Bromobenzoic acid bromide
- Molecular formula
- C7H4Br2O
- Molecular weight
- 263.92
Names & synonyms
Benzoyl bromide, 3-bromo-618-44-0DTXSID6060680RefChem:566444DTXCID00431313-bromobenzoyl bromide16331-47-8M-BROMOBENZOYL BROMIDEm-bromo-benzoyl bromideSCHEMBL8681033PFABNMHNELCDLT-UHFFFAOYSA-N3-Bromobenzoic acid bromide
Database identifiers
- CAS
618-44-0- PubChem CID
- 69251
- DTXSID
DTXSID6060680- Nikkaji
- J421.517F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzoyl bromide, 3-bromo- (618-44-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl bromide, 3-bromo-: INACTIVE
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Related reactions
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Compound notes
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