5-Bromo-2-chlorobenzonitrile

C7H3BrClNCAS 57381-44-9216.46 g/mol

Open in Covalent MOL file
NBrCl
Aryl halideNitrile

Properties

Molecular formula
C7H3BrClN
Molar mass
216.46 g/mol
Exact mass
214.9137 Da
logP
2.97Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57381-44-9
SMILES
N#Cc1cc(Br)ccc1Cl
InChIKey
NKDMQBUJOXQVEA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 5-bromo-2-chloro-
  • 2-Chloro-5-bromobenzonitrile

Work with 5-Bromo-2-chlorobenzonitrile

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromophthalonitrile70484-01-464 % similar 2,5-Dichlorobenzonitrile21663-61-660 % similar 2-Chlorobenzonitrile873-32-557 % similar 5-Bromo-2-iodobenzonitrile121554-10-756 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Chloro-5-iodobenzonitrile289039-29-856 % similar 5-Amino-2-chlorobenzonitrile35747-58-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-chlorobenzonitrile154607-01-9 3-Bromo-5-chlorobenzonitrile304854-55-5 2-Bromo-4-chlorobenzonitrile57381-49-4 3-Bromo-4-chlorobenzonitrile948549-53-9

Elsewhere

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