3-Bromo-4-chloroaniline

C₆H₅BrClNCAS 823-54-1206.47 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
logP: 2.68Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled80.6% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.2% of notifiers
H332 Harmful if inhaled97.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure88.9% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P501

Identifiers

CAS number

823-54-1

SMILES

C1=CC(=C(C=C1N)Br)Cl

InChIKey

FVZODFVCIDBDGS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

3,4-Dibromobenzenamine615-55-460 % similar 3,4-Dichloroaniline95-76-160 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 4-Chloro-m-phenylenediamine5131-60-256 % similar 1-Bromo-2-chlorobenzene694-80-452 % similar 3-Bromo-4-chlorophenol13659-24-052 % similar 4-Amino-2-bromophenol16750-67-752 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % 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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