Pyridine-2-sulfonyl chloride hydrochloride

HCID 13791306

Notes Reactions

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Basic information

CAS: 111480-84-3
Standard SMILES: Cl.O=S(=O)(Cl)c1ccccn1
InChIKey: XAJWHCVLZBSLNC-UHFFFAOYSA-N
Molecular formula: C5H5Cl2NO2S
Average molar mass: 214.07 g/mol
Monoisotopic mass: 212.94180476

Names & identifiers

Preferred name: Pyridine-2-sulfonyl chloride hydrochloride
IUPAC: pyridine-2-sulfonyl chloride;hydrochloride
English name: 2-Chlorosulfonyl-pyridinium, chloride
Molecular formula: C5H5Cl2NO2S
Molecular weight: 214.06

Names & synonyms

Pyridine-2-sulfonyl chloride hydrochlorideRefChem:870737689-718-9111480-84-32-pyridinesulfonyl chloride hydrochloridepyridine-2-sulfonyl chloride;hydrochlorideMFCD034102952-Pyridinesulfonyl Chloride, Hydrochloride2-CHLOROSULFONYL-PYRIDINIUM, CHLORIDEPyridine-2-sulfonyl Chloride MonohydrochlorideSCHEMBL17129DTXSID60549546

Show more names

Vonoprazan Impurity 42 HClTAK438 Impurity 39 Hydrochloride2-PYRIDINESULFONYL CHLORIDE, HCL2-Pyridinesulfonyl chloridehydrochloidepyidine-2-sulfonyl chloride,hydrochloridePyridine-2-sulphonyl chloride hydrochloride

Pyridine-2-sulfonyl chloride HClXAJWHCVLZBSLNC-UHFFFAOYSA-NAKOS015912285AB14073Pyridine-2-sulfonylchloridehydrochloride2-pyridylsulphonyl chloride hydrochloridepyridine-2sulfonyl chloride hydrochlorideDB-060095

Database identifiers

CAS: 111480-84-3
PubChem CID: 13791306
DTXSID: DTXSID60549546
EC Number: 689-718-9

Properties

Computed structural properties

Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 196

Physicochemical properties

Melting point: 77 · 77-81°C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 34 · 34-36
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
Hazard Note: Keep Cold

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (97.4%)

Safety data

ridadr: 3261
risk_code: 34-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Keep Cold
safety_code: 26-36/37/39
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Pyridinesulfonyl Chloride Hydrochloride is a useful reactant for the preparation of benzamides as 11β-hydroxysteroid dehydrogenase type 1 modulators for the treatment of metabolic syndromes.

Uses2-Chlorosulfonyl-pyridinium chloride is used for preparation of piperidine derivatives as tachykinin receptor antagonists.