4-Bromo-2-ethyl-6-methylaniline

HCID 960761

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Basic information

CAS: 70598-49-1
Standard SMILES: CCc1cc(Br)cc(C)c1N
InChIKey: RPWYIXIMJZSTQX-UHFFFAOYSA-N
Molecular formula: C9H12BrN
Average molar mass: 214.1 g/mol
Monoisotopic mass: 213.01531148

Names & identifiers

Preferred name: 4-Bromo-2-ethyl-6-methylaniline
IUPAC: 4-bromo-2-ethyl-6-methylaniline
English name: BenzenaMine, 4-broMo-2-ethyl-6-Methyl-
Molecular formula: C9H12BrN
Molecular weight: 214.11

Names & synonyms

4-bromo-2-ethyl-6-methylaniline70598-49-1DTXSID30359371RefChem:290707DTXCID10310425Benzenamine, 4-bromo-2-ethyl-6-methyl-4-bromo-2-ethyl-6-methylbenzenamineMFCD040934634-bromo-2-ethyl-6-methyl-phenylamine4-Bromo-6-ethyl-2-methylaniline4-bromo-2-ethyl-6-methyl-anilineSCHEMBL1145124

Show more names

4-bromo-2-methyl-6-ethylanilineRPWYIXIMJZSTQX-UHFFFAOYSA-NAKOS000293761SB38399AS-38756DB-340111CS-0191142F038643

Database identifiers

CAS: 70598-49-1
PubChem CID: 960761
DTXSID: DTXSID30359371

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 275.4 · 275.4±35.0 °C(Predicted)
Density: 1.363 · 1.363±0.06 g/cm3(Predicted)
pka: 3.51 · 3.51±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338