2-Chloro-3,6-difluorophenol

C₆H₃ClF₂OCAS 261762-50-9164.54 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
H312 Harmful in contact with skin13.3% of notifiers
H315 Causes skin irritation91.1% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H335 May cause respiratory irritation91.1% of notifiers

Aggregated from 45 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

261762-50-9

SMILES

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

InChIKey

IXIZSAAJTPZUBU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-3,6-difluorophenol 97

Work with 2-Chloro-3,6-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

2,3,6-Trifluorophenol113798-74-658 % similar 2,6-Difluorophenol28177-48-257 % similar 1-Chloro-2,6-difluorobenzene38361-37-452 % similar 2-Chloro-6-fluorophenol2040-90-652 % similar 2-Chloro-3-fluorophenol863870-86-452 % similar 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-048 % similar 2-Chloro-3,6-difluorobenzenemethanol261762-44-148 % similar 3-Fluoro-1,2-benzenediol363-52-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2,6-difluorophenol164790-68-5 4-Chloro-3,5-difluorophenol2268-03-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook