3-Chloro-5-hydroxybenzotrifluoride

C₇H₄ClF₃OCAS 570391-18-3196.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄ClF₃O
Molar mass: 196.55 g/mol
Exact mass: 195.9903 Da
logP: 3.06Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage80% of notifiers
H332 Harmful if inhaled20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

570391-18-3

SMILES

C1=C(C=C(C=C1O)Cl)C(F)(F)F

InChIKey

BPJWMOPEHPOKFT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H

Weigh it out

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

Work with 3-Chloro-5-hydroxybenzotrifluoride

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-Chloro-3,5-bis(trifluoromethyl)benzene328-72-368 % similar 3,5-Bis(trifluoromethyl)phenol349-58-668 % similar 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-568 % similar 3-Fluoro-5-(trifluoromethyl)phenol172333-87-857 % similar 3,5-Dichlorophenol591-35-556 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-855 % similar 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-155 % similar 3-(Trifluoromethyl)phenol98-17-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 3-Chloro-4-hydroxybenzotrifluoride35852-58-5 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 2-(Trifluoromethoxy)chlorobenzene450-96-4 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 4-Chloro-3-(trifluoromethyl)phenol6294-93-5 1-Chloro-3-(trifluoromethoxy)benzene772-49-6

Elsewhere

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