2-Fluorotoluene
Properties
- Molecular formula
- C7H7F
- Molar mass
- 110.13 g/mol
- Exact mass
- 110.0532 Da
- Density
- 1.0041 g/mL (at 13.2 °C)
- Melting point
- −62 °C
- Boiling point
- 115 °C
- Flash point
- 12.8 °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
- H301 Toxic if swallowed28.2% of notifiers
- H315 Causes skin irritation49% of notifiers
- H319 Causes serious eye irritation49% of notifiers
- H332 Harmful if inhaled22.1% of notifiers
- H335 May cause respiratory irritation94% of notifiers
Aggregated from 149 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+P316, 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
95-52-3SMILES
Cc1ccccc1FInChIKey
MMZYCBHLNZVROM-UHFFFAOYSA-NInChI
InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzene, 1-fluoro-2-methyl-
- Toluene, o-fluoro-
- 1-Fluoro-2-methylbenzene
- o-Fluorotoluene
- NSC 8859
- ortho-Fluorotoluene
Work with 2-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
1,2-Difluoro-3-methylbenzene3828-49-761 % similar
3-Fluoro-o-xylene443-82-361 % similar
1-Fluoro-2-iodo-3-methylbenzene883502-14-558 % similar
2-Fluoro-6-methylaniline443-89-056 % similar
2-Bromo-1-fluoro-3-methylbenzene59907-13-056 % similar
2-Fluoro-6-methylbenzonitrile198633-76-056 % similar
1,2-Difluorobenzene367-11-356 % similar
O-Xylene95-47-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.