4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride

C₇H₃ClF₃NO₄SCAS 39234-83-8289.61 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₇H₃ClF₃NO₄S
Molar mass: 289.61 g/mol
Exact mass: 288.9423 Da
logP: 2.54Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

39234-83-8

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)[N+](=O)[O-]

InChIKey

LJQUNSRHHHYXEW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF3NO4S/c8-17(15,16)4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

Weigh it out

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

Work with 4-Nitro-3-(trifluoromethyl)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

3-Fluoro-4-nitrobenzenesulfonyl chloride86156-93-664 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-260 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-558 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-657 % similar 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-257 % similar 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-957 % similar 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-157 % similar 5-Bromo-2-nitrobenzotrifluoride344-38-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride837-95-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook