3-Bromo-4-methoxyaniline

C₇H₈BrNOCAS 19056-41-8202.05 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₈BrNO
Molar mass: 202.05 g/mol
Exact mass: 200.9789 Da
logP: 2.04Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled90.5% of notifiers
H300 Fatal if swallowed90.5% of notifiers
H310 Fatal in contact with skin90.5% of notifiers
H330 Fatal if inhaled90.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure90.5% of notifiers
H400 Very toxic to aquatic life90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

19056-41-8

SMILES

COC1=C(C=C(C=C1)N)Br

InChIKey

NMUFTXMBONJQTC-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3

Weigh it out

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

Work with 3-Bromo-4-methoxyaniline

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

3,4-Dimethoxyaniline6315-89-564 % similar 2,4-Diaminoanisole615-05-462 % similar 2,4-Dibromoanisole21702-84-160 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 2-Bromo-4-methylanisole22002-45-558 % similar 5-Amino-2-methoxyphenol1687-53-256 % similar 3-Fluoro-4-methoxyaniline366-99-456 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-methoxy-2-methylpyridine1150617-80-3 2-Amino-6-bromoanisole116557-46-1 5-Bromo-2-methoxy-6-picoline126717-59-7 5-Bromo-2-methoxy-4-methylpyridine164513-39-7 4-Bromo-3-methoxyaniline19056-40-7 5-Bromo-2-ethoxypyridine55849-30-4 3-Bromo-2-ethoxypyridine57883-25-7 4-Bromo-2-methoxybenzenamine59557-91-4

Elsewhere

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