CAS 38762-41-3 4-Bromo-2-chloroaniline (HCID 610169)

Substructure search Find similar structures

Basic information

CAS: 38762-41-3
Standard SMILES: Nc1ccc(Br)cc1Cl
InChIKey: INMZDDDQLHKGPF-UHFFFAOYSA-N
Molecular formula: C6H5BrClN
Average molar mass: 206.47 g/mol
Monoisotopic mass: 204.92938894

Names & identifiers

Preferred name: 4-Bromo-2-chloroaniline
IUPAC: 4-bromo-2-chloroaniline

Names & synonyms

4-Bromo-2-chloroaniline38762-41-32-Chloro-4-bromoanilineBenzenamine, 4-bromo-2-chloro-4-Bromo-2-chlorobenzenamineAniline, 4-bromo-2-chloro-RefChem:98062254-118-4EINECS 254-118-4InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9HINMZDDDQLHKGPF-UHFFFAOYSA-N4-bromo-2-chloro-aniline

Show more names

4-bromo-2-chlorophenylamine4-Brom-2-chlor-anilinMFCD000076604-bromo-2-chlorophenylarnine4-Bromo-2-chloroaniline, 98%BBL035749STL087632CS-W020030

Database identifiers

CAS: 38762-41-3
PubChem CID: 610169
DTXSID: DTXSID401027990
UNII: MYG85XD8FA
EC Number: 254-118-4
Nikkaji: J236.146I

Properties

Computed structural propertiesFilling in

XLogP: 3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P319, P321, P330, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.