2-Chloro-5-(trifluoromethyl)benzyl alcohol

C₈H₆ClF₃OCAS 64372-62-9210.58 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₆ClF₃O
Molar mass: 210.58 g/mol
Exact mass: 210.0059 Da
logP: 2.85Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed85.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

64372-62-9

SMILES

C1=CC(=C(C=C1C(F)(F)F)CO)Cl

InChIKey

VEKMDPQNERMQMO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2

Weigh it out

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

Names and synonyms

1 names

2-Chloro-5-(trifluoromethyl)benzylalcohol

Work with 2-Chloro-5-(trifluoromethyl)benzyl alcohol

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-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-265 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-364 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-262 % similar 2-Iodo-5-(trifluoromethyl)benzyl alcohol702641-05-260 % similar 2-Bromo-5-(trifluoromethyl)benzyl alcohol869725-53-160 % similar 2-Chloro-5-(trifluoromethyl)benzeneacetonitrile22902-88-159 % similar 2-Chloro-5-(trifluoromethyl)phenylacetic acid22893-39-659 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-6 [5-Chloro-2-(trifluoromethyl)phenyl]methanol261763-21-7 4-Chloro-3-(trifluoromethyl)anisole400-73-7 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-0 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-9 4-(Trifluoromethoxy)benzyl chloride65796-00-1

Elsewhere

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