1,3-Difluoro-2-methylbenzene

C7H6F2CAS 443-84-5128.12 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C7H6F2
Molar mass
128.12 g/mol
Exact mass
128.0438 Da
Density
1.1296 g/mL (at 20 °C)
Boiling point
112 °C
logP
2.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
443-84-5
SMILES
Cc1c(F)cccc1F
InChIKey
MZLSNIREOQCDED-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,3-difluoro-2-methyl-
  • Toluene, 2,6-difluoro-
  • 2,6-Difluorotoluene
  • 2,6-Difluoro(methyl)benzene

Work with 1,3-Difluoro-2-methylbenzene

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-Fluoro-o-xylene443-82-371 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-468 % similar 2-Chloro-6-fluorotoluene443-83-468 % similar 3-Fluoro-2-methylaniline443-86-768 % similar 1-Fluoro-3-iodo-2-methylbenzene443-85-665 % similar 3-Fluoro-2-methylphenol443-87-865 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-358 % similar 3-Fluoro-2-methylphenylboronic Acid163517-61-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluorotoluene117358-51-7 3,4-Difluorotoluene2927-34-6 1,2-Difluoro-3-methylbenzene3828-49-7 1,4-Difluoro-2-methylbenzene452-67-5 2,4-Difluoro-1-methylbenzene452-76-6 (Difluoromethyl)benzene455-31-2

Elsewhere

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