2,6-Dichloro-4-fluorophenol

C₆H₃Cl₂FOCAS 392-71-2180.99 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃Cl₂FO
Molar mass: 180.99 g/mol
Exact mass: 179.9545 Da
Melting point: 42 °C
logP: 2.84Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed11.4% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H314 Causes severe skin burns and eye damage11.4% of notifiers
H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation86.4% of notifiers
H411 Toxic to aquatic life with long lasting effects11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, 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, P391, P403+P233, P405, P501

Identifiers

CAS number

392-71-2

SMILES

Oc1c(Cl)cc(F)cc1Cl

InChIKey

BOJVIFKSTRCIRJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H

Weigh it out

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

Names and synonyms

2 names

Phenol, 2,6-dichloro-4-fluoro-
NSC 10257

Work with 2,6-Dichloro-4-fluorophenol

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

1,3-Dichloro-2,5-difluorobenzene2367-80-857 % similar 2,4,6-Trichlorophenol88-06-257 % similar 2,6-Dichlorophenol87-65-055 % similar 2,6-Dichloro-4-methylphenol2432-12-454 % similar 4-Bromo-2,6-dichlorophenol3217-15-052 % similar 2,6-Dichloro-4-fluorobenzenamine344-19-452 % similar 4-Amino-2,6-dichlorophenol5930-28-952 % similar 2-Chloro-4-fluorophenol1996-41-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook