4-(Difluoromethoxy)benzenesulfonyl chloride

C₇H₅ClF₂O₃SCAS 351003-34-4242.62 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₇H₅ClF₂O₃S
Molar mass: 242.62 g/mol
Exact mass: 241.9616 Da
logP: 2.22Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

351003-34-4

SMILES

C1=CC(=CC=C1OC(F)F)S(=O)(=O)Cl

InChIKey

ANZLDHZFNLCQAS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-5(2-4-6)13-7(9)10/h1-4,7H

Weigh it out

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

Work with 4-(Difluoromethoxy)benzenesulfonyl chloride

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-Isopropoxybenzenesulfonyl chloride98995-40-564 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-160 % similar 4-(Difluoromethoxy)benzenesulfonamide874781-09-659 % similar 4-Fluorobenzenesulfonyl chloride349-88-255 % similar 4-Methoxybenzenesulfonyl chloride98-68-055 % similar 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-254 % similar 4-Phenoxybenzene-1-sulfonyl chloride1623-92-353 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook