3-Bromoaniline

C₆H₆BrNCAS 591-19-5172.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₆BrN
Molar mass: 172.03 g/mol
Exact mass: 170.9684 Da
Density: 1.58 g/mL
Melting point: 18.5 °C
Boiling point: 251 °C
logP: 2.03Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed91.8% of notifiers
H311 Toxic in contact with skin18.4% of notifiers
H312 Harmful in contact with skin81.6% of notifiers
H315 Causes skin irritation93.9% of notifiers
H319 Causes serious eye irritation91.8% of notifiers
H332 Harmful if inhaled12.2% of notifiers
H335 May cause respiratory irritation79.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure16.3% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

591-19-5

SMILES

Nc1cccc(Br)c1

InChIKey

DHYHYLGCQVVLOQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 3-bromo-
Aniline, m-bromo-
3-Bromobenzenamine
m-Aminobromobenzene
m-Bromoaniline
1-Amino-3-bromobenzene
3-Amino-1-bromobenzene
(m-Bromophenyl)amine
(3-Bromophenyl)amine
NSC 10298

Work with 3-Bromoaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dibromobenzene108-36-160 % similar M-Phenylenediamine108-45-260 % similar 3,5-Dibromoaniline626-40-455 % similar 6-Bromonaphthalen-2-amine7499-66-354 % similar m-Phenylenediamine hydrochloride541-69-552 % similar 3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-250 % similar 3-Bromophenethylamine58971-11-248 % similar 6-Bromonaphthalen-2-amine hydrochloride71590-31-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-3-methylpyridine10168-00-0 4-Bromoaniline106-40-1 4-Bromo-2-methylpyridine22282-99-1 5-Bromo-2-methylpyridine3430-13-5 3-Bromo-5-methylpyridine3430-16-8 2-Bromo-3-methylpyridine3430-17-9 3-Bromo-4-methylpyridine3430-22-6 2-Bromo-5-methylpyridine3510-66-5

Elsewhere

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