2-Chloro-4-fluorophenol

C₆H₄ClFOCAS 1996-41-4146.55 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄ClFO
Molar mass: 146.55 g/mol
Exact mass: 145.9935 Da
Density: 1.377 g/mL (at 19 °C)
Boiling point: 50 °C (at 1 Torr)
logP: 2.18Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation89.6% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation85.4% of notifiers

Aggregated from 48 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1996-41-4

SMILES

Oc1ccc(F)cc1Cl

InChIKey

IGYXYGDEYHNFFT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

Weigh it out

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

Names and synonyms

3 names

Phenol, 2-chloro-4-fluoro-
4-Fluoro-2-chlorophenol
NSC 10273

Work with 2-Chloro-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

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 4-Fluoro-1,2-benzenediol367-32-860 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-557 % similar 2-Bromo-4-fluorophenol496-69-557 % similar 2,4-Dichlorophenol120-83-256 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 2,4-Difluorophenol367-27-156 % similar Chlorohydroquinone615-67-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-5-fluorophenol202982-70-5 2-Chloro-6-fluorophenol2040-90-6 3-Chloro-2-fluorophenol2613-22-1 3-Chloro-4-fluorophenol2613-23-2 4-Chloro-3-fluorophenol348-60-7 4-Chloro-2-fluorophenol348-62-9 2-Chloro-5-fluorophenol3827-49-4 2-Chloro-3-fluorophenol863870-86-4

Elsewhere

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