3,5-Difluorotoluene

C7H6F2CAS 117358-51-7128.12 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C7H6F2
Molar mass
128.12 g/mol
Exact mass
128.0438 Da
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 4 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
117358-51-7
SMILES
CC1=CC(=CC(=C1)F)F
InChIKey
YISYUYYETHYYMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

Weigh it out

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

Work with 3,5-Difluorotoluene

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

5-Fluoro-M-xylene461-97-288 % similar 3-Fluoro-5-methylphenol216976-31-767 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-664 % similar 3-Fluoro-5-methylaniline52215-41-564 % similar 1,3,5-Trifluorobenzene372-38-360 % similar 3-Fluorotoluene352-70-557 % similar 3-Fluoro-5-methylbenzaldehyde189628-39-556 % similar 3-Fluoro-5-methylbenzonitrile216976-30-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Difluorotoluene2927-34-6 1,2-Difluoro-3-methylbenzene3828-49-7 1,3-Difluoro-2-methylbenzene443-84-5 1,4-Difluoro-2-methylbenzene452-67-5 2,4-Difluoro-1-methylbenzene452-76-6 (Difluoromethyl)benzene455-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook