5-Chloropyridine-3-sulfonyl chloride

HCID 54594705

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Basic information

CAS: 1060802-18-7
Standard SMILES: O=S(=O)(Cl)c1cncc(Cl)c1
InChIKey: FQNDXOOGXYFWHZ-UHFFFAOYSA-N
Molecular formula: C5H3Cl2NO2S
Average molar mass: 212.05 g/mol
Monoisotopic mass: 210.9261549

Names & identifiers

Preferred name: 5-Chloropyridine-3-sulfonyl chloride
IUPAC: 5-chloropyridine-3-sulfonyl chloride
English name: 5-chloropyridine-3-sulfonyl chloride
Molecular formula: C5H3Cl2NO2S
Molecular weight: 212.05

Names & synonyms

5-chloropyridine-3-sulfonyl chloride1060802-18-7DTXSID60712410RefChem:302679DTXCID20663156821-855-35-Chloro-3-pyridinesulfonyl chlorideMFCD13189042Vonoprazan Impurity 22Vonoprazan Fumarate Impurity 715-Chloro-pyridine-3-sulfonyl chlorideVonoprazan-30

Show more names

Vonolazan impurity 36Vonoprazan Impurity 363-Pyridinesulfonyl chloride, 5-chloro-5-chloropyridine-3-sulfonyl chloride ISO 9001：2015 REACH

TAK438 Impurity 37SCHEMBL1828079FQNDXOOGXYFWHZ-UHFFFAOYSA-N5-chloropyridine-3-sulfonylchlorideKSB80218GS2977AKOS006332831AB67622

Database identifiers

CAS: 1060802-18-7
PubChem CID: 54594705
DTXSID: DTXSID60712410
EC Number: 821-855-3

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 223

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to off-white Solid
InChI: InChI=1S/C5H3Cl2NO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
InChIKey: FQNDXOOGXYFWHZ-UHFFFAOYSA-N
SMILES: C1=NC=C(Cl)C=C1S(Cl)(=O)=O
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310