2-Chloro-5-pyridinesulfonyl chloride

C₅H₃Cl₂NO₂SCAS 6684-39-5212.04 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 inhaled95% of notifiers
H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin95% of notifiers
H314 Causes severe skin burns and eye damage95% of notifiers
H332 Harmful if inhaled95% of notifiers

Aggregated from 40 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

6684-39-5

SMILES

C1=CC(=NC=C1S(=O)(=O)Cl)Cl

InChIKey

QXZKKHONVQGXAK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloropyridine-5-sulfonyl chloride

Work with 2-Chloro-5-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-Chlorobenzenesulfonyl chloride98-60-250 % similar Pyridine-3-sulfonyl chloride16133-25-848 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-148 % similar (1,1'-Biphenyl)-4,4'-disulfonyl dichloride3406-84-648 % similar 1,3-Benzenedisulfonyl dichloride585-47-747 % similar 5-Bromo-6-chloro-3-pyridinesulfonyl chloride216394-05-746 % similar 4'-Chlorobiphenyl-4-sulfonyl chloride20443-74-745 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloropyridine-3-sulfonyl chloride6684-06-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook