Pyridine-2-sulfonyl Chloride

HCID 3787675

Notes Reactions

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Basic information

CAS: 66715-65-9
Standard SMILES: O=S(=O)(Cl)c1ccccn1
InChIKey: JQJOGAGLBDBMLU-UHFFFAOYSA-N
Molecular formula: C5H4ClNO2S
Average molar mass: 177.61 g/mol
Monoisotopic mass: 176.96512705

Names & identifiers

Preferred name: Pyridine-2-sulfonyl Chloride
IUPAC: pyridine-2-sulfonyl chloride
English name: Pyridine-2-sulfonyl chloride
Molecular formula: C5H4ClNO2S
Molecular weight: 177.61

Names & synonyms

Pyridine-2-sulfonyl Chloride66715-65-9DTXSID20396412RefChem:376881DTXCID10347271802-226-22-Pyridinesulfonyl chloridePyridin-2-sulfonyl chlorideMFCD016322222-PYRIDINYLSULFONYL CHLORIDE2-pyridylsulfonyl chloride2-Pyridinesulfonyl Chloride, Technical Grade

Show more names

TAK439 ImpurityPYRIDINE-2-SULFONYLVonorazan Impurity 67Vonoprazan Impurity 38TAK438 Impurity 39 CRSTicagrelor Impurity 223Vonoprazan Impurity 143Nicotinic Acid Impurity 20

2-Pyridinesulfonylchloridechloro-2-pyridylsulfonepyridinesulphonyl chloride2-pyridinesulphonylchloride2-pryidinesulfonyl chloride2-pyridinesulphonyl chloride2-Pyridine sulfonyl chlorideSCHEMBL23025

Database identifiers

CAS: 66715-65-9
PubChem CID: 3787675
DTXSID: DTXSID20396412
UNII: 9G8C43EW9Z
EC Number: 802-226-2
Nikkaji: J900.266I

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 196

Physicochemical properties

Boiling point: 284 ℃ · 284℃
Density: 1.488 · 1.488
Flash point: 126 ℃ · 126℃
storage temp.: -20 °C · Store at -20 °C
solubility: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: -5.12 · -5.12±0.19(Predicted)
form: Oil to Low-Melting Solid
color: Colourless to Pale Yellow
Stability: Hygroscopic, Moisture sensitive, Temperature sensitive
InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H
InChIKey: JQJOGAGLBDBMLU-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=NC=CC=C1
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 317 · H317-H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H317-H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Applications

Uses2-Pyridinesulfonyl Chloride is used for preparation of pyridinesulfonyl derivatives.

Preparation methods · 1 item

PreparationPyridine-2-sulfonyl Chloride is generated as needed from 2,2′-Dipyridyl Disulfide. Treatment of 2,2′- dipyridyl disulfide in petroleum ether or dichloromethane with either Chlorine or Bromine at 20 °C results in 2- pyridinesulfenyl halide generation after 1-2 h. Isolation through evaporation of solvent provides a yellow powder with a pungent odor.