CAS 118804-39-0 Benzenamine, ar-bromo-ar-chloro- (HCID 189585)

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Basic information

CAS: 118804-39-0
Standard SMILES: Nc1cccc(Br)c1Cl
InChIKey: HKNLHCGTRMCOLV-UHFFFAOYSA-N
Molecular formula: C6H5BrClN
Average molar mass: 206.47 g/mol
Monoisotopic mass: 204.92938894

Names & identifiers

Preferred name: Benzenamine, ar-bromo-ar-chloro-
IUPAC: 3-bromo-2-chloroaniline
English name: 3-bromo-2-chloroaniline
Molecular formula: C6H5BrClN
Molecular weight: 206.4676

Names & synonyms

3-bromo-2-chloroaniline118804-39-0BromochloroanilineBenzenamine, ar-bromo-ar-chloro-DTXSID70152247RefChem:561921DTXCID8074738851-287-156131-46-5Benzenamine, 3-bromo-2-chloro-MFCD118485363-bromo-2-chloro-aniline

Show more names

2-chloro-3-bromoaniline2-Bhloro-3-bromoaniline3-BROMO-2-CHLOROANILINE（WS204694）

SCHEMBL457411CL9068AKOS023436548SB77416SY139467CS-0042828Z12691450633-bromo-2-chloroanili

Database identifiers

CAS: 118804-39-0、56131-46-5
PubChem CID: 189585
DTXSID: DTXSID70152247
EC Number: 851-287-1

Properties

Computed structural properties

XLogP: 2.9
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

Physicochemical properties

InChI: InChI=1S/C6H5BrClN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey: HKNLHCGTRMCOLV-UHFFFAOYSA-N
SMILES: NC1=CC=CC(Br)=C1Cl
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Danger
Hazard statements: 312 · H312-H301-H335-H319-H332
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS06
Hazard statements: H312-H301-H335-H319-H332
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501