4-Bromonaphthalen-1-ol

C₁₀H₇BrOCAS 571-57-3223.07 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

Danger

H302+H312 Harmful if swallowed or in contact with skin88.4% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

571-57-3

SMILES

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

InChIKey

OUNQUWORSXHSJN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Bromo-L-naphthol

Work with 4-Bromonaphthalen-1-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

1,4-Naphthalenediol571-60-867 % similar 1,4-Dibromonaphthalene83-53-467 % similar 5-Bromo-8-hydroxyquinoline1198-14-755 % similar 1,5-Dibromonaphthalene7351-74-855 % similar 2-Bromophenol95-56-754 % similar 1,5-Dihydroxynaphthalene83-56-752 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-650 % similar 1-Amino-4-bromonaphthalene2298-07-950 % 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-2-ol5498-31-7 1-Bromo-2-hydroxynaphthalene573-97-7 2-Bromo-1-naphthol771-15-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook