1,2-Difluoro-3-methylbenzene

C₇H₆F₂CAS 3828-49-7128.12 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed87% of notifiers
H315 Causes skin irritation97.8% of notifiers
H318 Causes serious eye damage87% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3828-49-7

SMILES

Cc1cccc(F)c1F

InChIKey

ZNEHIDGAPGVZSA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,2-difluoro-3-methyl-
Toluene, 2,3-difluoro-
2,3-Difluorotoluene

Work with 1,2-Difluoro-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-1,3-dimethylbenzene443-88-971 % similar 2,3,4-Trifluorotoluene193533-92-563 % similar 1,2,3-Trifluorobenzene1489-53-862 % similar 2-Fluorotoluene95-52-361 % similar 3-Fluoro-o-xylene443-82-360 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-958 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-258 % similar 1-Fluoro-2-iodo-3-methylbenzene883502-14-558 % 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 1,3-Difluoro-2-methylbenzene443-84-5 1,4-Difluoro-2-methylbenzene452-67-5 2,4-Difluoro-1-methylbenzene452-76-6 (Difluoromethyl)benzene455-31-2

Elsewhere

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