1-Bromo-3-chloropropane
Properties
- Molecular formula
- C3H6BrCl
- Molar mass
- 157.44 g/mol
- Exact mass
- 155.9341 Da
- Density
- 1.5969 g/mL (at 20 °C)
- Melting point
- −58.9 °C
- Boiling point
- 143.3 °C
- Flash point
- 57 °C
- Water solubility
- 2.24 g/L (25 °C)
- logP
- 2.01Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor28.6% of notifiers
- H302 Harmful if swallowed99.5% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H319 Causes serious eye irritation11.6% of notifiers
- H331 Toxic if inhaled74.1% of notifiers
- H332 Harmful if inhaled24.9% of notifiers
- H335 May cause respiratory irritation45.5% of notifiers
- H341 Suspected of causing genetic defects35.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects68.8% of notifiers
Aggregated from 189 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
109-70-6SMILES
ClCCCBrInChIKey
MFESCIUQSIBMSM-UHFFFAOYSA-NInChI
InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Propane, 1-bromo-3-chloro-
- Trimethylene bromide chloride
- Trimethylene chlorobromide
- 1-Chloro-3-bromopropane
- 3-Chloro-1-bromopropane
- 3-Bromopropyl chloride
- 3-Bromo-1-chloropropane
- 3-Chloropropyl bromide
- ω-Chlorobromopropane
- NSC 9183
- 3-Chloropropan-1-yl bromide
Work with 1-Bromo-3-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
1-Bromo-4-chlorobutane6940-78-980 % similar
1-Bromo-5-chloropentane54512-75-375 % similar
1-Bromo-6-chlorohexane6294-17-375 % similar
1-Bromo-2-chloroethane107-04-060 % similar
1,3-Dibromopropane109-64-850 % similar
1,4-Dibromobutane110-52-150 % similar
1,4-Dichlorobutane110-56-550 % similar
1,3-Dichloropropane142-28-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds