4-Chloro-3,5-difluorophenol

C₆H₃ClF₂OCAS 2268-03-3164.54 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃ClF₂O
Molar mass: 164.54 g/mol
Exact mass: 163.9840 Da
logP: 2.32Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

2268-03-3

SMILES

C1=C(C=C(C(=C1F)Cl)F)O

InChIKey

OEBQPSQPCDHCKT-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF2O/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H

Weigh it out

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

Work with 4-Chloro-3,5-difluorophenol

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-2,4,6-trifluorobenzene2106-40-359 % similar 3,4,5-Trifluorophenol99627-05-159 % similar 4-Bromo-3,5-difluorophenol130191-91-254 % similar 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-654 % similar 4-Chloro-3-fluorophenol348-60-754 % similar 2,4-Dichloro-1,3,5-trifluorobenzene2368-53-852 % similar 3,4,5-Trichlorophenol609-19-852 % similar 3,4-Difluorophenol2713-33-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2,6-difluorophenol164790-68-5 2-Chloro-3,6-difluorophenol261762-50-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook