3-Fluorophenol

C₆H₅FOCAS 372-20-3112.10 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₅FO
Molar mass: 112.10 g/mol
Exact mass: 112.0324 Da
Melting point: 13.7 °C
Boiling point: 178 °C
logP: 1.53Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed79.6% of notifiers
H302 Harmful if swallowed13% of notifiers
H312 Harmful in contact with skin13% of notifiers
H315 Causes skin irritation92.6% of notifiers
H318 Causes serious eye damage79.6% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number

372-20-3

SMILES

Oc1cccc(F)c1

InChIKey

SJTBRFHBXDZMPS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Weigh it out

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

Names and synonyms

4 names

Phenol, 3-fluoro-
Phenol, m-fluoro-
m-Fluorophenol
NSC 87078

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Resorcinol108-46-363 % similar 1,3-Difluorobenzene372-18-958 % similar 3,5-Difluorophenol2713-34-057 % similar 3,3'-Biphenyldiol612-76-055 % similar M-Cresol108-39-454 % similar 3-[(3-Hydroxyphenyl)disulfanyl]phenol21101-56-454 % similar 3-Chlorophenol108-43-050 % similar 3-Chloro-5-fluorophenol202982-70-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorophenol367-12-4 4-Fluorophenol371-41-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook