1-Bromo-4-chlorobutane

C4H8BrClCAS 6940-78-9171.46 g/mol

Open in Covalent MOL file
ClBr
Alkyl halide

Properties

Molecular formula
C4H8BrCl
Molar mass
171.46 g/mol
Exact mass
169.9498 Da
Density
1.488 g/mL (at 20 °C)
Melting point
96–97 °C
Boiling point
175 °C
logP
2.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
6940-78-9
SMILES
ClCCCCBr
InChIKey
NIDSRGCVYOEDFW-UHFFFAOYSA-N
InChI
InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Butane, 1-bromo-4-chloro-
  • Tetramethylenechlorobromide
  • 1-Chloro-4-bromobutane
  • 4-Bromo-1-chlorobutane
  • 4-Bromobutyl chloride
  • 4-Chlorobutyl bromide
  • 4-Chloro-1-bromobutane
  • NSC 60193

Work with 1-Bromo-4-chlorobutane

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-5-chloropentane54512-75-393 % similar 1-Bromo-6-chlorohexane6294-17-393 % similar 1-Bromo-3-chloropropane109-70-680 % similar 1,4-Dibromobutane110-52-157 % similar 1,4-Dichlorobutane110-56-557 % similar 1-Bromo-2-chloroethane107-04-056 % similar 1,5-Dibromopentane111-24-053 % similar 1,11-Dibromoundecane16696-65-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-chloro-2-methylpropane6974-77-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook