2-Bromo-5-(trifluoromethyl)phenol

C₇H₄BrF₃OCAS 402-05-1241.01 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

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

402-05-1

SMILES

C1=CC(=C(C=C1C(F)(F)F)O)Br

InChIKey

INHVNZLKNPJCJD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-5-trifluoromethylphenol

Work with 2-Bromo-5-(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-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-460 % similar 2-Fluoro-5-(trifluoromethyl)phenol141483-15-058 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-556 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-056 % similar 2-Chloro-5-(trifluoromethyl)phenol40889-91-656 % similar 2-Bromo-5-trifluoromethylaniline454-79-556 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-(trifluoromethoxy)benzene2252-44-0 4-Bromo-3-(trifluoromethyl)phenol320-49-0 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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