CAS 51175-71-4 Thiophene-3-sulfonyl Chloride (HCID 2776378)

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Basic information

CAS: 51175-71-4
Standard SMILES: O=S(=O)(Cl)c1ccsc1
InChIKey: YSPWSQNKRBSICH-UHFFFAOYSA-N
Molecular formula: C4H3ClO2S2
Average molar mass: 182.7 g/mol
Monoisotopic mass: 181.92629902

Names & identifiers

Preferred name: Thiophene-3-sulfonyl Chloride
IUPAC: thiophene-3-sulfonyl chloride
English name: 3-Thiophenesulfonyl chloride
Molecular formula: C4H3ClO2S2
Molecular weight: 182.65

Names & synonyms

Thiophene-3-sulfonyl Chloride51175-71-4DTXSID70380028RefChem:385310DTXCID10331054692-218-33-THIOPHENESULFONYL CHLORIDEThiophene-3-sulphonyl chlorideMFCD02682011C4H3ClO2S23-thienylsulfonyl chloride3-ThiophenesulfonylChloride

Show more names

BUTTPARK 145\50-573-THIOPHENESULPHONYL CHLORIDE3-THIOPHENESULFONYL CHLORIDE ISO 9001：2015 REACHThien-3-sulfonyl chloridethiophene-3-sulfonyl chloride

3-(Chlorosulphonyl)thiopheneTHIOPHENE-3-SULFONYLCHLORIDEchloro-3-thienylsulfone3-thiophenesulphonylchloride3-thienyl-sulfonyl chlorideSCHEMBL16795Thiophen-3-sulfonyl chloride(3-thienyl)sulfonyl chloride

Database identifiers

CAS: 51175-71-4
PubChem CID: 2776378
DTXSID: DTXSID70380028
EC Number: 692-218-3

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 44 °C · 44 °C
Boiling point: 101 · 101-103°C
Density: 1.58 · 1.580
Flash point: 114 ℃ · 114℃
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
form: solid
color: White
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
Hazard Note: Harmful/Stench
HazardClass: IRRITANT
PackingGroup

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 Corr. 1B (100%)

Safety data

ridadr: 3261
hs_code: 2934999090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Harmful/Stench
safety_code: 26-36/37/39
hazard_class: IRRITANT
packing_group: Ⅲ
Hazard statements: H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses3-Thiophene sulfonyl chloride is a pharmaceutical intermediate that has been reported in the literature to be used to prepare a new class of scopolamine sulfonate compounds and modulators of β-3 adrenergic receptors.