1,2-Difluoro-4-(methylsulfonyl)benzene

C₇H₆F₂O₂SCAS 424792-57-4192.18 g/mol

Open in Covalent MOL file

Aryl halide Sulfone

Properties

Molecular formula: C₇H₆F₂O₂S
Molar mass: 192.18 g/mol
Exact mass: 192.0057 Da
logP: 1.37Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

424792-57-4

SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)F

InChIKey

WMBJGJXMKCOHGG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Work with 1,2-Difluoro-4-(methylsulfonyl)benzene

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-4-methylsulfonylphenylboronic acid957060-85-462 % similar 1-Fluoro-4-(methylsulfonyl)-2-nitrobenzene453-72-558 % similar 4-Fluorophenyl methyl sulfone455-15-255 % similar 3,4-Difluorobenzenesulfonamide108966-71-855 % similar 3,4-Difluorobenzenesulfonyl chloride145758-05-055 % similar Methyl p-tolyl sulfone3185-99-747 % similar p-Tolyl methyl sulfone59203-01-947 % similar 4-(Methylsulfonyl)phenol14763-60-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Difluoromethyl phenyl sulfone1535-65-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook