1-Pyrrolidinesulfonyl chloride

HCID 6483902CAS 1689-02-7

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Basic information

Standard SMILES: O=S(=O)(Cl)N1CCCC1
InChIKey: JRIQCVWTPGVBBH-UHFFFAOYSA-N
Molecular formula: C4H8ClNO2S
Average molar mass: 169.63 g/mol
Monoisotopic mass: 168.9964274

Names & identifiers

Preferred name: 1-Pyrrolidinesulfonyl chloride
IUPAC: pyrrolidine-1-sulfonyl chloride
English name: PYRROLIDINE-1-SULFONYL CHLORIDE
Molecular formula: C4H8ClNO2S
Molecular weight: 169.63

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 177

Physicochemical properties

Boiling point: 65 · 65-75 °C(Press: 0.2 Torr)
Density: 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)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
RIDADR: 3265 · UN3265
HazardClass: IRRITANT
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Corr. 1B (100%)

Safety data

ridadr: UN3265
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: IRRITANT
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501