1-Bromo-2-chloropropane
Basic information
- CAS
3017-96-7- Standard SMILES
CC(Cl)CBr- InChIKey
YMHXXJJTAGKFBA-UHFFFAOYSA-N- Molecular formula
- C3H6BrCl
- Average molar mass
- 157.44 g/mol
- Monoisotopic mass
- 155.93414
Names & identifiers
- Preferred name
- 1-Bromo-2-chloropropane
- IUPAC
- 1-bromo-2-chloropropane
- English name
- 1-BROMO-2-CHLOROPROPANE
- Molecular formula
- C3H6BrCl
- Molecular weight
- 157.44
Names & synonyms
1-BROMO-2-CHLOROPROPANEPropane, 1-bromo-2-chloro-EINECS 221-158-9RefChem:75066221-158-93017-96-7Verapamil Impurity 22Verapamil Impurity N21-bromo-2 chloropropane1-bromo-2-chloro-propaneSCHEMBL444162SCHEMBL809430
Show more names
VPM-4J3-Bromo-2-chloropropane2-Chloro-1-bromopropanePropane,1-bromo-2-chloro- (6CI,7CI,8CI,9CI)
SCHEMBL907386SCHEMBL6719506DTXSID90871004AKOS006274759LS-12955NS00048274
Database identifiers
- CAS
3017-96-7- PubChem CID
- 18176
- DTXSID
DTXSID90871004- EC Number
- 221-158-9
- Nikkaji
- J205.319E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 22.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 118 °C · 118°C (estimate)
- Density
- 1.531 · 1.5310
- refractive index
- 1.4745 · 1.4745
- EPA Substance Registry System
- 1 · Propane, 1-bromo-2-chloro- (3017-96-7)
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Related reactions
5 records
Compound notes
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