1-Pyrrolidinesulfonyl chloride

HCID 6483902CAS 1689-02-7

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)N1CCCC1
InChIKey: JRIQCVWTPGVBBH-UHFFFAOYSA-N
Summenformel: C4H8ClNO2S
Durchschnittliche Molmasse: 169,63 g/mol
Monoisotopische Masse: 168,9964274

Namen und Bezeichner

Bevorzugter Name: 1-Pyrrolidinesulfonyl chloride
IUPAC: pyrrolidine-1-sulfonyl chloride
Englischer Name: PYRROLIDINE-1-SULFONYL CHLORIDE
Summenformel: C4H8ClNO2S
Molmasse: 169.63

Namen und Synonyme

1-Pyrrolidinesulfonyl chlorideRefChem:436541696-398-4Pyrrolidine-1-sulfonyl chloride1689-02-71-PyrrolidinesulfonylchlorideMFCD07801104ALBB-005584chloropyrrolidinylsulfoneN-pyrrolidinesulfonyl chlorideSCHEMBL7450371-Pyrrolidine-sulfonyl chloride

Weitere Namen anzeigen

pyrrolidine-1-sulfonyl chloride(SALTDATA: FREE)PYRROLIDINE-1-SULFONYL CHLORIDE ISO 9001：2015 REACH

DTXSID90424357JRIQCVWTPGVBBH-UHFFFAOYSA-NSBB010507AKOS000263669BS-13035SY046713DB-013863CS-0215711

Datenbank-Bezeichner

CAS: 1689-02-7
PubChem CID: 6483902
DTXSID: DTXSID90424357
EC Number: 696-398-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Siedepunkt: 65 · 65-75 °C(Press: 0.2 Torr)
Dichte: 1.48 · 1.48±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -8.42 · -8.42±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.