2-Bromo-1-chloropropane
Properties
- Molecular formula
- C3H6BrCl
- Molar mass
- 157.44 g/mol
- Exact mass
- 155.9341 Da
- Density
- 1.537 g/mL (at 20 °C)
- Boiling point
- 118 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin97.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3017-95-6SMILES
CC(Br)CClInChIKey
PUJJZGFFAQHYEX-UHFFFAOYSA-NInChI
InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Propane, 2-bromo-1-chloro-
- 1-Chloro-2-bromopropane
- (±)-2-Bromo-1-chloropropane
- NSC 8022
Work with 2-Bromo-1-chloropropane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,4-Dibromopentane19398-53-950 % similar
2,5-Dibromohexane24774-58-150 % similar
1,2-Dibromopropane78-75-145 % similar
2-Bromobutane78-76-245 % similar
Isobutyl chloride513-36-042 % similar
1,3-Dibromobutane107-80-241 % similar
2-Bromopentane107-81-341 % similar
1-Bromo-3-chloro-2-methylpropane6974-77-239 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds