1-Bromo-3-chlorobenzene

C6H4BrClCAS 108-37-2191.45 g/mol

Open in Covalent MOL file
ClBr
Aryl halide

Properties

Molecular formula
C6H4BrCl
Molar mass
191.45 g/mol
Exact mass
189.9185 Da
Density
1.6384 g/mL (at 15 °C)
Melting point
−21.5 °C
Boiling point
196 °C
logP
3.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
108-37-2
SMILES
Clc1cccc(Br)c1
InChIKey
JRGGUPZKKTVKOV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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Names and synonyms

13 names · show all
  • Benzene, 1-bromo-3-chloro-
  • m-Chlorobromobenzene
  • 1-Chloro-3-bromobenzene
  • m-Bromochlorobenzene
  • 3-Bromochlorobenzene
  • 3-Chlorobromobenzene
  • m-Chlorophenyl bromide
  • 3-Chlorophenyl bromide
  • m-Bromophenyl chloride
  • 3-Bromo-1-chlorobenzene
  • NSC 53548
  • 3-Chloro-1-bromobenzene
  • 3-Bromophenyl chloride

Work with 1-Bromo-3-chlorobenzene

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

3-Bromo-3′-chloro-1,1′-biphenyl844856-42-474 % similar 1,3-Dibromobenzene108-36-163 % similar 1,3-Dichlorobenzene541-73-158 % similar 3-Bromo-4'-chloro-1,1'-biphenyl164334-69-458 % similar 1,3-Dibromo-5-chlorobenzene14862-52-357 % similar Bromo-3,5-dichlorobenzene19752-55-757 % similar 3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-252 % similar 1-Bromo-3-fluorobenzene1073-06-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-chlorobenzene106-39-8 1-Bromo-2-chlorobenzene694-80-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook