4-Bromo-2-ethylaniline

C₈H₁₀BrNCAS 45762-41-2200.08 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀BrN
Molar mass: 200.08 g/mol
Exact mass: 198.9997 Da
Boiling point: 134–138 °C (at 8 Torr)
logP: 2.59Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor91.5% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

45762-41-2

SMILES

CCc1cc(Br)ccc1N

InChIKey

LGOZNQPHTIGMQJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BrN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3

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

Names and synonyms

4 names

Benzenamine, 4-bromo-2-ethyl-
Aniline, 4-bromo-2-ethyl-
4-Bromo-2-ethylbenzenamine
2-Ethyl-4-bromoaniline

Work with 4-Bromo-2-ethylaniline

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Methylenebis[2-ethylbenzenamine]19900-65-358 % similar 4-Bromo-2,6-diethylaniline56746-19-157 % similar 4-Bromo-2-ethyl-1-iodobenzene175278-30-556 % similar 2-Ethylaniline578-54-155 % similar 4-Bromobenzene-1,2-diamine1575-37-754 % similar 4-Bromo-2-methylaniline583-75-552 % similar 4-Amino-3-ethylbenzonitrile170230-87-251 % similar 2,4-Dibromoaniline615-57-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-(3-Bromophenyl)ethylamine139305-96-7 3-Bromo-N,N-dimethylaniline16518-62-0 (R)-1-(3-Bromophenyl)ethanamine176707-77-0 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4

Elsewhere

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