4-Bromo-3-methoxyaniline

C₇H₈BrNOCAS 19056-40-7202.05 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

Warning

H302 Harmful if swallowed97.9% of notifiers
H315 Causes skin irritation10.6% of notifiers
H317 May cause an allergic skin reaction89.4% of notifiers
H319 Causes serious eye irritation10.6% of notifiers
H335 May cause respiratory irritation10.6% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19056-40-7

SMILES

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

InChIKey

RUTNWXBHRAIQSP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-3-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 4-Bromo-3-ethoxybenzenamine125756-95-861 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 3-Methoxy-4-methylaniline16452-01-058 % similar 2,4-Diaminoanisole615-05-457 % similar 4-Bromo-3-methoxyphenol102127-34-456 % similar 4-Chloro-3-methoxyaniline13726-14-256 % similar 1-Bromo-4-chloro-2-methoxybenzene174913-09-856 % 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 3-Bromo-4-methoxyaniline19056-41-8 5-Bromo-2-ethoxypyridine55849-30-4 3-Bromo-2-ethoxypyridine57883-25-7 4-Bromo-2-methoxybenzenamine59557-91-4

Elsewhere

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