4-Fluoro-1,2-dimethylbenzene

C8H9FCAS 452-64-2124.16 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C8H9F
Molar mass
124.16 g/mol
Exact mass
124.0688 Da
Boiling point
143–144 °C (at 730 Torr)
logP
2.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
452-64-2
SMILES
Cc1ccc(F)cc1C
InChIKey
WYHBENDEZDFJNU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 4-fluoro-1,2-dimethyl-
  • o-Xylene, 4-fluoro-
  • 4-Fluoro-1,2-xylene
  • 4-Fluoro-o-xylene
  • 1-Fluoro-3,4-dimethylbenzene
  • 1,2-Dimethyl-4-fluorobenzene
  • NSC 76082
  • 3,4-Dimethylfluorobenzene

Work with 4-Fluoro-1,2-dimethylbenzene

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

1,4-Difluoro-2-methylbenzene452-67-565 % similar 2,4-Difluoro-1-methylbenzene452-76-665 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-763 % similar 5-Fluoro-2-iodotoluene28490-56-463 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-863 % similar 2-Bromo-4-fluorotoluene1422-53-360 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-160 % similar 5-Fluoro-2-methylaniline367-29-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-o-xylene443-82-3 2-Fluoro-1,3-dimethylbenzene443-88-9 1-Ethyl-4-fluorobenzene459-47-2 5-Fluoro-M-xylene461-97-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook