Dibromoacetyl chloride
Basic information
- CAS
5302-76-1- Standard SMILES
O=C(Cl)C(Br)Br- InChIKey
LQBBYHUQQRZRLK-UHFFFAOYSA-N- Molecular formula
- C2HBr2ClO
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 233.80827
Names & identifiers
- Preferred name
- Dibromoacetyl chloride
- IUPAC
- 2,2-dibromoacetyl chloride
- English name
- dibromoacetyl chloride
- Molecular formula
- C2HBr2ClO
- Molecular weight
- 236.28974
Names & synonyms
Dibromoacetyl chloride5302-76-1EINECS 226-148-8SCHEMBL2414273DTXSID70201067NS000326342,2-dibromoacetyl chlorideAcetyl chloride, 2,2-dibromo-
Database identifiers
- CAS
5302-76-1- PubChem CID
- 79184
- DTXSID
DTXSID70201067- EC Number
- 226-148-8
- Nikkaji
- J297.988H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 62.6
Physicochemical properties
- Boiling point
- 60 · 60-64 °C(Press: 4 Torr)
- Density
- 2.441 · 2.441±0.06 g/cm3(Predicted)
- Comptox DTXSID
- 70201067 · DTXSID70201067
- HS Code
- 2915900090 · 2915900090
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
- hs_code
- 2915900090
Chemistry & industry
Applications
UsesDibromoacetyl Chloride is an intermediate in the synthesis of Bromochloroacetamide (B740048), a haloacetemide byproduct of nitrogenous disinfection agents at water purification plants in European and Asian countries.
Related reactions
11 records
Compound notes
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