3-Amino-4-bromophenol

C₆H₆BrNOCAS 100367-37-1188.02 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₆BrNO
Molar mass: 188.02 g/mol
Exact mass: 186.9633 Da
logP: 1.74Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

100367-37-1

SMILES

Nc1cc(O)ccc1Br

InChIKey

JJNOHJJIVAVDLP-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2

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

Names and synonyms

1 names

Phenol, 3-amino-4-bromo-

Work with 3-Amino-4-bromophenol

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

2,5-Dibromoaniline3638-73-162 % similar 4-Bromoresorcinol6626-15-956 % similar 2-Bromo-5-fluorobenzenamine1003-99-252 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 4-Bromo-3-chlorophenol13631-21-552 % similar 4-Bromo-3-methylphenol14472-14-152 % similar 3-Amino-4-chlorophenol16026-77-052 % similar 3-Amino-4-methylphenol2836-00-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-methoxypyridine100367-39-3 2-Bromo-5-methoxypyridine105170-27-2 2-Amino-3-bromophenol116435-77-9 (2-Bromopyridin-4-yl)methanol118289-16-0 (6-Bromo-pyridin-3-yl)-methanol122306-01-8 4-Bromo-2-pyridinemethanol131747-45-0 3-Bromo-2-methoxypyridine13472-59-8 5-Bromo-2-methoxypyridine13472-85-0

Elsewhere

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