Basic information
- CAS
53535-68-5- Standard SMILES
O=C(CCl)CBr- InChIKey
QMUUMVLJNYZYSS-UHFFFAOYSA-N- Molecular formula
- C3H4BrClO
- Average molar mass
- 171.42 g/mol
- Monoisotopic mass
- 169.91341
Names & identifiers
- Preferred name
- 2-Propanone, 1-bromo-3-chloro-
- IUPAC
- 1-bromo-3-chloropropan-2-one
- English name
- 1-Bromo-3-chloro-2-propanone
- Molecular formula
- C3H4BrClO
- Molecular weight
- 171.42
Names & synonyms
1-Bromo-3-chloro-2-propanone1-Bromo-3-chloroacetone53535-68-52-Propanone, 1-bromo-3-chloro-DTXSID60201753RefChem:266059DTXCID901242441-bromo-3-chloropropan-2-one1-Chlor(Brom)aceton1 -bromo-3-chloro-propanoneSCHEMBL4823682QMUUMVLJNYZYSS-UHFFFAOYSA-N
Show more names
DB-311938
Database identifiers
- CAS
53535-68-5- PubChem CID
- 148646
- DTXSID
DTXSID60201753
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 54.8
Physicochemical properties
- Melting point
- 34.5 °C · 34.5°C
- Boiling point
- 179 °C · 179°C (estimate)
- Density
- 1.5412 · 1.5412 (rough estimate)
- refractive index
- 1.573 · 1.5730 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
1 records
Compound notes
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