4-Bromo-3-(trifluoromethyl)phenol

C₇H₄BrF₃OCAS 320-49-0241.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄BrF₃O
Molar mass: 241.01 g/mol
Exact mass: 239.9398 Da
logP: 3.17Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96.8% of notifiers

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

320-49-0

SMILES

C1=CC(=C(C=C1O)C(F)(F)F)Br

InChIKey

VOWPIDJSINRFPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H

Weigh it out

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

Work with 4-Bromo-3-(trifluoromethyl)phenol

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-Dibromo-2-(trifluoromethyl)benzene7657-09-266 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-558 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-158 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-956 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-056 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-256 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-3-(trifluoromethoxy)benzene2252-44-0 2-Bromo-5-(trifluoromethyl)phenol402-05-1 1-Bromo-4-(trifluoromethoxy)benzene407-14-7 4-Bromo-2-(trifluoromethyl)phenol50824-04-9 2-(Trifluoromethoxy)bromobenzene64115-88-4 2-Bromo-4-(trifluoromethyl)phenol81107-97-3

Elsewhere

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