4-Fluorotoluene
Properties
- Molecular formula
- C7H7F
- Molar mass
- 110.13 g/mol
- Exact mass
- 110.0532 Da
- Density
- 1.005 g/mL (at 15 °C)
- Melting point
- −56 °C
- Boiling point
- 116.6 °C
- Flash point
- 40.6 °C
- logP
- 2.13Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed20.9% of notifiers
- H312 Harmful in contact with skin20.9% of notifiers
- H315 Causes skin irritation77.5% of notifiers
- H319 Causes serious eye irritation77.5% of notifiers
- H332 Harmful if inhaled40.6% of notifiers
- H335 May cause respiratory irritation58.8% of notifiers
Aggregated from 187 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
352-32-9SMILES
Cc1ccc(F)cc1InChIKey
WRWPPGUCZBJXKX-UHFFFAOYSA-NInChI
InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 1-fluoro-4-methyl-
- Toluene, p-fluoro-
- 1-Fluoro-4-methylbenzene
- p-Fluoromethylbenzene
- p-Fluorotoluene
- p-Tolyl fluoride
- NSC 8861
Work with 4-Fluorotoluene
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
4-Fluoro-4'-methylbenzophenone530-46-163 % similar
P-Xylene106-42-360 % similar
1,4-Difluorobenzene540-36-360 % similar
3,5-Difluorotoluene117358-51-750 % similar
4,4′-Difluorobiphenyl398-23-250 % similar
5-Fluoro-M-xylene461-97-250 % similar
Di-p-tolyl613-33-250 % similar
p-Tolyl disulfide103-19-545 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.