4-Chlorobutane-1-sulphonyl chloride

HCID 74212CAS 1633-84-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(Cl)CCCCCl
InChIKey: YDSCNYYRPIFOJD-UHFFFAOYSA-N
Molecular formula: C4H8Cl2O2S
Average molar mass: 191.08 g/mol
Monoisotopic mass: 189.96220586

Names & identifiers

Preferred name: 4-Chlorobutane-1-sulphonyl chloride
IUPAC: 4-chlorobutane-1-sulfonyl chloride
English name: 4-chlorobutane-1-sulphonyl chloride
Molecular formula: C4H8Cl2O2S
Molecular weight: 191.08

Names & synonyms

1633-84-74-Chlorobutane-1-sulphonyl chloride4-chloro-1-butanesulfonyl chlorideEINECS 216-648-4DTXSID40167560RefChem:521970DTXCID4090051216-648-44-CHLORO-1-BUTYLSULFONYL CHLORIDE4-chlorobutane-1-sulfonyl chloride1-Butanesulfonyl chloride, 4-chloro-MFCD09952390

Show more names

1-Chloro-4-butanesulfonyl chlorideMethanesulfonamide,N-(2-aminophenyl)-

C4H8Cl2O2S4-chloro-butane-1-sulfonyl chloride4-Chlorobutane-1-sulfonic acid chlorideF7P7H6VHP6SCHEMBL5801584-chlorobutanesulfonyl chloride4-chlorobutanesul-fonyl chloride4-chlorobutane-1-sulphonylchloride

Database identifiers

CAS: 1633-84-7
PubChem CID: 74212
DTXSID: DTXSID40167560
UNII: F7P7H6VHP6
EC Number: 216-648-4
Nikkaji: J195.263C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 146

Physicochemical properties

Boiling point: 123 °C · 123 °C(Press: 12 Torr)
Density: 1.38 · 1.380±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
InChI: InChI=1S/C4H8Cl2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2
InChIKey: YDSCNYYRPIFOJD-UHFFFAOYSA-N
SMILES: C(S(Cl)(=O)=O)CCCCl
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

hs_code: 2904990090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H314
Precautionary statements: P261-P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses4-Chloro-1-butanesulfonyl Chloride is used in the preparation of pregnene and androstane heterocyclic derivatives of potential pharmacological activity.