ChemicalBook--->CAS DataBase List--->2386-60-9

2386-60-9

2386-60-9 Structure

2386-60-9 Structure
IdentificationMore
[Name]

1-Butanesulfonyl chloride
[CAS]

2386-60-9
[Synonyms]

1-BUTANESULFONYL CHLORIDE
1-BUTANESULPHONYL CHLORIDE
BUTANESULFONYLCHLORIDE
N-BUTYLSULFONYL CHLORIDE
1-Butylsulfonyl chloride
Butane-1-sulfonyl chloride
butane-1-sulfonylchloride
Butylsulfonyl chloride
Butylsulfonylchloride
n-butanesulphonylchloride
butane-1-sulphonyl chloride
1-ButanesulphonylChloride99%
1-Butanesulphonyl Chloride 99%
1-Butanesulphonylchloride,98%
Butylsulfonyl
1-BUTANESULFONYL CHLORIDE 99%
1-Butanesulfonic acid chloride
Butane-1-sulfonic acid chloride
[EINECS(EC#)]

219-204-8
[Molecular Formula]

C4H9ClO2S
[MDL Number]

MFCD00007464
[Molecular Weight]

156.63
[MOL File]

2386-60-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to light yellow liquid
[Melting point ]

-29°C
[Boiling point ]

80-81 °C/9 mmHg (lit.)
[density ]

1.208 g/mL at 25 °C(lit.)
[vapor pressure ]

0.5 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.454(lit.)
[Fp ]

175 °F
[form ]

Liquid
[color ]

Clear colorless to light yellow or light orange
[Water Solubility ]

DECOMPOSES
[Sensitive ]

Moisture Sensitive
[BRN ]

1748742
[InChI]

1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
[InChIKey]

WEDIIKBPDQQQJU-UHFFFAOYSA-N
[SMILES]

CCCCS(Cl)(=O)=O
[CAS DataBase Reference]

2386-60-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Butanesulfonyl chloride(2386-60-9)
[EPA Substance Registry System]

2386-60-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)Health Hazard (GHS08)
GHS07,GHS05,GHS08
[Signal word ]

Danger
[Hazard statements ]

H227-H290-H341-H314-H335-H318
[Precautionary statements ]

P261-P280-P305+P351+P338-P310-P210e-P260h-P303+P361+P353-P501a-P201-P202-P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P370+P378-P390-P403+P235-P405-P406-P501
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[RTECS ]

EK5950000
[F ]

10-19-21
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29049090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
STOT SE 3
[Toxicity]

mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Nature. Vol. 174, Pg. 737, 1954.
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Tirofiban-->Nonafluorobutanesulfonyl fluoride-->4-chlorobutane-1-sulphonyl chloride-->Sodium 1-butanesulfonate
Hazard InformationBack Directory
[Description]

1-Butanesulfonyl chloride is an antimicrobial agent that inhibits the production of inflammatory substances. It has been shown to inhibit acetylcholinesterase activity and the growth of cancer cells in vitro. 1-Butanesulfonyl chloride is a cross-linking agent that can be used to produce amides, which are used as pharmaceutical preparations for treating inflammatory diseases.
[Chemical Properties]

clear colourless to light yellow liquid
[Uses]

1-Butanesulfonyl chloride has been used in the preparation of:
  • ethyl 2-(1-butanesulfonamido)pent-4-yn-l-oate
  • 1-butanesulfonamid-N,N′-1,2-ethanediylbis
  • 1-butanesulfonamide-N,N′-1,3-propanediylbis
[General Description]

1-Butanesulfonyl chloride is a clear, colourless to pale yellow liquid with a pungent odour, primarily used as a chemical intermediate in organic synthesis. It is a highly reactive sulfonyl chloride derivative, commonly employed in the production of sulphonamide drugs, pharmaceutical formulations and active pharmaceutical ingredients (APIs).
[Hazard]

1-Butanesulfonyl chloride is harmful to humans and is corrosive, irritant and acutely toxic. Contact may cause severe skin burns and eye damage. A single exposure may also cause respiratory tract irritation. Inhalation is fatal.
[Purification Methods]

It has a pungent odour and is LACHRYMATORY. If IR shows OH bands, then dissolve in Et2O, wash with cold saturated aqueous NaHCO3 (care since CO2 will be generated) then H2O, dry it over solid Na2SO4, filter, evaporate and distil the residue twice. Characterise it by shaking a solution in Et2O or *C6H6 with aqueous NH3, collect the solid 1-butanesulfonamide with m 48o after recrystallisation from CHCl3, CCl4 or Et2O/pet ether. [Douglass & Johnson J Am Chem Soc 60 1488 1938, Lee & Dougherty J Org Chem 5 83 1940, Beilstein 4 IV 45.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Butanesulfonyl chloride(2386-60-9)MS
1-Butanesulfonyl chloride(2386-60-9)1HNMR
1-Butanesulfonyl chloride(2386-60-9)13CNMR
1-Butanesulfonyl chloride(2386-60-9)IR1
1-Butanesulfonyl chloride(2386-60-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Butanesulfonyl chloride, 99%(2386-60-9)
[Alfa Aesar]

1-Butanesulfonyl chloride, 98%(2386-60-9)
[Sigma Aldrich]

2386-60-9(sigmaaldrich)
[TCI AMERICA]

1-Butanesulfonyl Chloride,>98.0%(T)(2386-60-9)
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