5-(Trifluoromethyl)-2-pyridinesulfonyl chloride

C6H3ClF3NO2SCAS 174485-72-4245.60 g/mol

Open in Covalent MOL file
OSOClFFFN
Alkyl halide

Properties

Molecular formula
C6H3ClF3NO2S
Molar mass
245.60 g/mol
Exact mass
244.9525 Da
logP
2.03Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
174485-72-4
SMILES
O=S(=O)(Cl)c1ccc(C(F)(F)F)cn1
InChIKey
MRIFFPWOMKLYKZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-2-1-4(3-11-5)6(8,9)10/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • 2-Pyridinesulfonyl chloride, 5-(trifluoromethyl)-
  • 5-(Trifluoromethyl)pyridine-2-sulfonyl chloride

Work with 5-(Trifluoromethyl)-2-pyridinesulfonyl 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-(Trifluoromethyl)benzenesulfonyl chloride2991-42-656 % similar 2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-050 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-450 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-349 % similar 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-648 % similar 2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride54090-08-348 % similar 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride39234-86-147 % similar 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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