CAS 66584-32-5 3-Bromo-N-methylaniline (HCID 7018299)

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Basic information

CAS: 66584-32-5
Standard SMILES: CNc1cccc(Br)c1
InChIKey: HKOSFZXROYRVJT-UHFFFAOYSA-N
Molecular formula: C7H8BrN
Average molar mass: 186.05 g/mol
Monoisotopic mass: 184.98401136

Names & identifiers

Preferred name: 3-Bromo-N-methylaniline
IUPAC: 3-bromo-N-methylaniline
English name: 3-Bromo-N-methylaniline
Molecular formula: C7H8BrN
Molecular weight: 186.05

Names & synonyms

3-Bromo-N-methylaniline66584-32-5DTXSID80426986RefChem:499276DTXCID00377820613-950-1MFCD05664376Benzenamine, 3-bromo-N-methyl-n-methyl-3-bromoaniline3-bromo-N-methyl aniline3-bromo-N-methyl-aniline(3-bromophenyl)-methylamine

Show more names

3-BROMO-N-TOLUIDINEm-Bromo-N-methylaniline3-BroMo-N-Methylaniline 97%3-Bromo-N-methylaniline,98%N-(3-broMophenyl)-N-MethylaMine3-Bromo-N-methylaniline3-Bromo-N-toluidine

(3-bromo-phenyl)-methyl-amineSCHEMBL1547919SCHEMBL2085402SCHEMBL3757352SCHEMBL3769992SCHEMBL46001583-Bromo-N-methylaniline, 97%SCHEMBL29909448

Database identifiers

CAS: 66584-32-5
PubChem CID: 7018299
DTXSID: DTXSID80426986
EC Number: 613-950-1
Nikkaji: J1.052.983B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Physicochemical properties

Boiling point: 253 °C · 253 °C (lit.)
Density: 1.461 g/mL · 1.461 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.6120(lit.)
Flash point: 235 °F · >235 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
pka: 4.01 · 4.01±0.25(Predicted)
color: Colorless to yellow
InChI: 1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKey: HKOSFZXROYRVJT-UHFFFAOYSA-N
SMILES: CNc1cccc(Br)c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.