4-(Trifluoromethoxy)phenyl methyl sulfone

C₈H₇F₃O₃SCAS 87750-51-4240.20 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfone

Properties

Molecular formula: C₈H₇F₃O₃S
Molar mass: 240.20 g/mol
Exact mass: 240.0068 Da
logP: 1.99Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

87750-51-4

SMILES

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

InChIKey

FNXVEILQGNGZNE-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3O3S/c1-15(12,13)7-4-2-6(3-5-7)14-8(9,10)11/h2-5H,1H3

Weigh it out

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Names and synonyms

1 names

1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene

Work with 4-(Trifluoromethoxy)phenyl methyl sulfone

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

4-(Trifluoromethoxy)benzenesulfonamide1513-45-759 % similar 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-259 % similar 4-Fluorophenyl methyl sulfone455-15-250 % similar 4-Trifluoromethoxytoluene706-27-450 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-950 % similar Methyl p-tolyl sulfone3185-99-747 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-047 % similar p-Tolyl methyl sulfone59203-01-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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