4-Fluoro-3-methylphenol

C₇H₇FOCAS 452-70-0126.13 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₇FO
Molar mass: 126.13 g/mol
Exact mass: 126.0481 Da
Boiling point: 98–99 °C (at 12 Torr)
logP: 1.84Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed17.6% of notifiers
H312 Harmful in contact with skin17.6% of notifiers
H314 Causes severe skin burns and eye damage15.7% of notifiers
H315 Causes skin irritation82.4% of notifiers
H319 Causes serious eye irritation82.4% of notifiers
H335 May cause respiratory irritation80.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

452-70-0

SMILES

Cc1cc(O)ccc1F

InChIKey

RVYGYYVGWSCWGY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

5 names

Phenol, 4-fluoro-3-methyl-
m-Cresol, 4-fluoro-
4-Fluoro-m-cresol
3-Methyl-4-fluorophenol
2-Fluoro-5-hydroxytoluene

Work with 4-Fluoro-3-methylphenol

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

3,4-Difluorophenol2713-33-960 % similar 3,4-Xylenol95-65-860 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-457 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-356 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar Methylhydroquinone95-71-656 % similar 1-Fluoro-4-iodo-2-methylbenzene452-68-654 % similar 4-Bromo-3-methylphenol14472-14-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-methylphenol216976-31-7 2-Fluoroanisole321-28-8 3-Fluoro-2-methylphenol443-87-8 2-Fluorobenzylic alcohol446-51-5 4-Fluoro-2-methylphenol452-72-2 3-Fluoro-4-methylphenol452-78-8 2-Fluoro-4-methylphenol452-81-3 5-Fluoro-2-methylphenol452-85-7

Elsewhere

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