chempirical

2-Fluorotoluene

C7H7FCAS 95-52-3110.13 g/mol

Open in Covalent MOL file
F
Aryl halide

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
logP
2.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
95-52-3
SMILES
Cc1ccccc1F
InChIKey
MMZYCBHLNZVROM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

Weigh 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 2-Bromo-1-fluoro-3-methylbenzene59907-13-056 % similar 1,2-Difluorobenzene367-11-356 % similar O-Xylene95-47-656 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-250 % similar 1,3-Difluoro-2-methylbenzene443-84-550 % similar 2-Fluoro-1,3-dimethylbenzene443-88-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluorotoluene352-32-9 3-Fluorotoluene352-70-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook