chempirical

1-Bromo-2-chlorobenzene

C6H4BrClCAS 694-80-4191.45 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
1.6444 g/mL (at 20.4 °C)
Melting point
−12.3 °C
Boiling point
204 °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 53 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
694-80-4
SMILES
Clc1ccccc1Br
InChIKey
QBELEDRHMPMKHP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H

Weigh it out

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Names and synonyms

11 names
  • Benzene, 1-bromo-2-chloro-
  • o-Chlorobromobenzene
  • 1-Chloro-2-bromobenzene
  • o-Bromochlorobenzene
  • 2-Chlorobromobenzene
  • 2-Bromo-1-chlorobenzene
  • 2-Chlorophenyl bromide
  • 2-Bromochlorobenzene
  • o-Bromophenyl chloride
  • NSC 59694
  • 2-Bromophenyl chloride

Reactions

Work with 1-Bromo-2-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

1-Bromo-2,4-dichlorobenzene1193-72-264 % similar 1-Bromo-2,3-dichlorobenzene56961-77-462 % similar 1,2-Dichlorobenzene95-50-159 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-558 % similar 4-Bromo-3-chlorophenol13631-21-558 % similar 4-Bromo-3-chloroaniline21402-26-658 % similar 2-Bromo-1,4-dichlorobenzene1435-50-357 % similar 1-Bromo-8-chloronaphthalene20816-79-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-4-chlorobenzene106-39-8 1-Bromo-3-chlorobenzene108-37-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook