2-Bromo-4-chloroaniline

C₆H₅BrClNCAS 873-38-1206.47 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrClN
Molar mass: 206.47 g/mol
Exact mass: 204.9294 Da
Melting point: 65–67 °C
logP: 2.68Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H311 Toxic in contact with skin12.5% of notifiers
H315 Causes skin irritation89.6% of notifiers
H319 Causes serious eye irritation89.6% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure12.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

873-38-1

SMILES

Nc1ccc(Cl)cc1Br

InChIKey

SYTBIFURTZACKR-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrClN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

6 names

Benzenamine, 2-bromo-4-chloro-
Aniline, 2-bromo-4-chloro-
2-Bromo-4-chlorobenzenamine
NSC 139478
4-Chloro-2-bromoaniline
2-Bromo-4-chloro-phenylamine

Work with 2-Bromo-4-chloroaniline

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

2-Bromo-5-chlorobenzenamine823-57-469 % similar 4-Chloro-1,2-phenylenediamine95-83-060 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2,4-Dichloroaniline554-00-756 % similar 2,4-Dibromoaniline615-57-656 % similar 4-Chloro-o-toluidine95-69-254 % similar 2,6-Dibromo-4-chloroaniline874-17-952 % similar 2-Bromo-4-fluoroaniline1003-98-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-6-chloro-2-methylpyridine132606-40-7 3-Bromo-2-chloro-5-methylpyridine17282-03-0 3-Bromo-2-chloro-6-picoline185017-72-5 4-Bromo-3-chloroaniline21402-26-6 5-Bromo-2-chloro-3-methylpyridine29241-60-9 4-Bromo-2-chloroaniline38762-41-3 3-Bromo-2-chloro-4-methylpyridine55404-31-4 5-Bromo-2-chloroaniline60811-17-8

Elsewhere

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