4-Bromo-2,3-dichlorobenzenamine

C₆H₄BrCl₂NCAS 56978-48-4240.91 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄BrCl₂N
Molar mass: 240.91 g/mol
Exact mass: 238.8904 Da
logP: 3.34Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

56978-48-4

SMILES

Nc1ccc(Br)c(Cl)c1Cl

InChIKey

KSXHNASRSXNUJH-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrCl2N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Weigh it out

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

Names and synonyms

2 names

Benzenamine, 4-bromo-2,3-dichloro-
4-Bromo-2,3-dichloroaniline

Work with 4-Bromo-2,3-dichlorobenzenamine

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-Bromo-3-chloro-2-fluoroaniline115843-99-764 % similar 2,3,4-Trichloroaniline634-67-354 % similar 1,3-Dibromo-2-chlorobenzene19230-27-452 % similar Bis(4-amino-2,3-dichlorophenyl)methane42240-73-350 % similar 2-Bromo-5-chlorobenzenamine823-57-448 % similar 2-Bromo-4-chloroaniline873-38-148 % similar 4-Bromo-2,3-difluorobenzenamine112279-72-845 % similar 4,6-Dibromo-2,3-dichloroaniline113571-15-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4,6-dichloroaniline697-86-9 4-Bromo-2,6-dichloroaniline697-88-1

Elsewhere

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