2-Amino-6-bromoanisole

C₇H₈BrNOCAS 116557-46-1202.05 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

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled100% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

116557-46-1

SMILES

COC1=C(C=CC=C1Br)N

InChIKey

ZLODWCIXZJMLJL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-methoxyaniline

Work with 2-Amino-6-bromoanisole

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

2,6-Dibromoanisole38603-09-771 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-161 % similar 2,3-Dimethoxyaniline6299-67-861 % similar 3-Fluoro-2-methoxyaniline437-83-257 % similar 2-Bromo-6-fluoroanisole845829-94-957 % similar 3-Bromo-2-methylaniline55289-36-654 % similar 2-Bromoaniline615-36-150 % similar 3'-Bromo-2'-methoxyacetophenone267651-23-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-methoxy-2-methylpyridine1150617-80-3 5-Bromo-2-methoxy-6-picoline126717-59-7 5-Bromo-2-methoxy-4-methylpyridine164513-39-7 4-Bromo-3-methoxyaniline19056-40-7 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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