3-Fluoro-4-methylphenol
Properties
- Molecular formula
- C7H7FO
- Molar mass
- 126.13 g/mol
- Exact mass
- 126.0481 Da
- Melting point
- 72 °C
- Boiling point
- 194–196 °C
- logP
- 1.84Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H227 Combustible liquid12.5% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin87.5% of notifiers
- H314 Causes severe skin burns and eye damage62.5% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H318 Causes serious eye damage12.5% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, 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, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P405, P501
Identifiers
CAS number
452-78-8SMILES
Cc1ccc(O)cc1FInChIKey
GJOOCAXPERKNMN-UHFFFAOYSA-NInChI
InChI=1S/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Phenol, 3-fluoro-4-methyl-
- p-Cresol, 3-fluoro-
- 3-Fluoro-4-cresol
Work with 3-Fluoro-4-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,4-Difluorophenol2713-33-960 % similar
3,4-Xylenol95-65-860 % similar
4-Bromo-2-fluorotoluene51436-99-857 % similar
2,4-Difluoro-1-methylbenzene452-76-656 % similar
4-Methylresorcinol496-73-156 % similar
2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % similar
4-Bromo-3-fluorophenol121219-03-252 % similar
3-Amino-4-methylphenol2836-00-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.