2-Chloropyridine-3-sulfonyl chloride

C₅H₃Cl₂NO₂SCAS 6684-06-6212.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₃Cl₂NO₂S
Molar mass: 212.04 g/mol
Exact mass: 210.9262 Da
logP: 1.66Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled82.6% of notifiers
H302 Harmful if swallowed87% of notifiers
H312 Harmful in contact with skin87% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled87% of notifiers

Aggregated from 46 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+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

6684-06-6

SMILES

C1=CC(=C(N=C1)Cl)S(=O)(=O)Cl

InChIKey

MFJSIQDQIZEVJX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3Cl2NO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H

Weigh it out

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

Work with 2-Chloropyridine-3-sulfonyl 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

8-Quinolinesulfonyl chloride18704-37-564 % similar 1,2-Benzenedisulfonyl dichloride6461-76-354 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-453 % similar 2-Chlorobenzenesulfonyl chloride2905-23-950 % similar Pyridine-2-sulfonyl chloride66715-65-948 % similar 5-Isoquinolinesulfonyl chloride84468-15-547 % similar 2,3-Dichlorobenzenesulfonyl chloride82417-45-647 % similar 1-Naphthalenesulfonyl chloride85-46-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-pyridinesulfonyl chloride6684-39-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook