4-Bromonaphthalen-2-ol

C₁₀H₇BrOCAS 5498-31-7223.07 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₀H₇BrO
Molar mass: 223.07 g/mol
Exact mass: 221.9680 Da
logP: 3.31Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled50% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

5498-31-7

SMILES

C1=CC=C2C(=C1)C=C(C=C2Br)O

InChIKey

PQNQMYMGUXGWTG-UHFFFAOYSA-N

InChI

InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

Weigh it out

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

Names and synonyms

1 names

4-Bromo-2-naphthol

Work with 4-Bromonaphthalen-2-ol

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

1,3-Dihydroxynaphthalene132-86-561 % similar 9-Bromophenanthrene573-17-157 % similar 2-Amino-4-bromonaphthalene74924-94-055 % similar (S)-(-)-3,3'-Dibromo-1,1'-bi-2-naphthol111795-43-853 % similar 1-Bromonaphthalene90-11-952 % similar 1,6-Dihydroxynaphthalene575-44-047 % similar 6,12-Dibromochrysene131222-99-646 % similar 2-Naphthol135-19-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-7-hydroxynaphthalene116230-30-9 6-Bromo-2-naphthalenol15231-91-1 4-Bromonaphthalen-1-ol571-57-3 1-Bromo-2-hydroxynaphthalene573-97-7 2-Bromo-1-naphthol771-15-3

Elsewhere

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