Cyclopropanesulfonyl chloride

HCID 2760919CAS 139631-62-2

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)C1CC1
InChIKey: PFWWSGFPICCWGU-UHFFFAOYSA-N
Summenformel: C3H5ClO2S
Durchschnittliche Molmasse: 140,59 g/mol
Monoisotopische Masse: 139,96987808

Namen und Bezeichner

Bevorzugter Name: Cyclopropanesulfonyl chloride
IUPAC: cyclopropanesulfonyl chloride
Englischer Name: Cyclopropanesulfonyl chloride
Summenformel: C3H5ClO2S
Molmasse: 140.59

Namen und Synonyme

Cyclopropanesulfonyl chloride139631-62-2DTXSID50375412RefChem:336301DTXCID70326441630-790-8cyclopropanesulfonylchloridechlorocyclopropylsulfoneMFCD01631933cyclopropanesulphonyl chloridecyclopropylsulfonyl chloridecyclopropylsulfonylchloride

Weitere Namen anzeigen

opropanesuLCyclopropanesulfonylCyclopronaneSulfonylChlorideCyclopropanesulfonyl chlorid(Chlorosulphonyl)cyclopropane

cyclopropylsulphonyl chloridecyclopropyl sulfonyl chloridecyclopropane sulphonyl chloridecyclopropanesulphonic acid chloridecyclopropane sulfonic acid chlorideCyclopropanesulfonyl chloride, 95%cyclopropane sulfonyl chloridecyclopropanesulfonic acid chloride

Datenbank-Bezeichner

CAS: 139631-62-2
PubChem CID: 2760919
DTXSID: DTXSID50375412
EC Number: 630-790-8
Nikkaji: J525.540F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 150

Physikochemische Eigenschaften

Siedepunkt: 60 °C/2mm · 60°C/2mm
Dichte: 1.38 g/mL · 1.38 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4770(lit.)
Flammpunkt: 204 °F · 204 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
InChI: InChI=1S/C3H5ClO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2
InChIKey: PFWWSGFPICCWGU-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)CC1
CAS Datenbank: 139631 · 139631-62-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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)

Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenCyclopropanesulfonyl chloride can be used in the synthesis of (1R,2S)-1-amino-2-vinylcyclopropanecarboxylic sulfonamide derivatives, which can serve as building blocks in the preparation of potent hepatitis C virus NS3 protease inhibitors.