2-Bromo-3-chlorobenzoyl chloride
Basic information
- CAS
116529-64-7- Standard SMILES
O=C(Cl)c1cccc(Cl)c1Br- InChIKey
XWQZHBMGOSCGBQ-UHFFFAOYSA-N- Molecular formula
- C7H3BrCl2O
- Average molar mass
- 253.9 g/mol
- Monoisotopic mass
- 251.87443
Names & identifiers
- Preferred name
- 2-Bromo-3-chlorobenzoyl chloride
- IUPAC
- 2-bromo-3-chlorobenzoyl chloride
- English name
- 2-Bromo-3-chlorobenzoyl chloride
- Molecular formula
- C7H3BrCl2O
- Molecular weight
- 253.91
Names & synonyms
2-Bromo-3-chlorobenzoyl chloride116529-64-7SCHEMBL75961162-Bromo-3-chlorobenzoylchlorideDTXSID405862522-bromo-3-chloro-benzoyl chlorideAKOS000277073AT52373F038276Benzoyl chloride, 2-bromo-3-chloro-
Database identifiers
- CAS
116529-64-7- PubChem CID
- 16637772
- DTXSID
DTXSID40586252
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 280.2 · 280.2±20.0 °C(Predicted)
- Density
- 1.763 · 1.763±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- RIDADR
- 3261 · UN3261
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
- ridadr
- UN3261
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Suppliers
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Related reactions
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Compound notes
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