13889-94-6

Basic information

• Product Name: S-BUTYL CHLOROTHIOFORMATE, 96%
• Synonyms: S-butyl chlorothiocarbonate
• CAS NO: 13889-94-6
• Molecular Formula: C₅H₉ClOS
• Molecular Weight: 152.64
• Mol File: 13889-94-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 49 °C/0.7 mmHg
• Flash Point: 61.3°C
• Appearance: /
• Density: 0.985 g/mL
• Vapor Pressure: 1.03mmHg at 25°C
• Refractive Index: n20/D 1.479
• CAS DataBase Reference: S-BUTYL CHLOROTHIOFORMATE, 96%(CAS DataBase Reference)
• NIST Chemistry Reference: S-BUTYL CHLOROTHIOFORMATE, 96%(13889-94-6)
• EPA Substance Registry System: S-BUTYL CHLOROTHIOFORMATE, 96%(13889-94-6)

Safety Data

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 2920 8/PG 2
• Hazardous Substances Data: 13889-94-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H9ClOS/c1-2-3-4-8-5(6)7/h2-4H2,1H3

Upstream product

• 2594-90-3 S-butyl O-ethyl dithiocarbonate 
• 75-44-5 phosgene 
• 109-79-5 n-butanethiol 

Downstream Products

• 14063-26-4 N-(4-Chlor-phenyl)-N-butylmercaptocarbonyl-hydroxylamin 
• 7269-35-4 S-(n-butyl) benzothioate 
• 114871-43-1 3-[(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(5-chloro-quinolin-8-yloxy)-hydroxy-phosphoryloxy]-3-(1-methoxy-1-methyl-ethoxy)-tetrahydro-furan-2-yl]-2,6-dioxo-3,6-dihydro-2H-pyrimidine-1-carbothioic acid S-butyl ester; compound with triethyl-amine 
• 114871-40-8 3-[(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-3-(1-methoxy-1-methyl-ethoxy)-tetrahydro-furan-2-yl]-2,6-dioxo-3,6-dihydro-2H-pyrimidine-1-carbothioic acid S-butyl ester 
• 106-98-9 1-butylene 
• 78-86-4 s-butyl chloride 
• 109-69-3 n-Butyl chloride 
• 55716-09-1 S,S-Di(n-butyl) dithiocarbonate 
• 1187837-11-1 S-butyl {6-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]pyridin-2-yl}carbamothioate 
• 116113-44-1 Thiocarbonic acid S-butyl ester O-{2-butylsulfanylcarbonylamino-9-[(2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl-3-(tetrahydro-pyran-2-yloxy)-tetrahydro-furan-2-yl]-9H-purin-6-yl} ester 
• 116135-06-9 C₆₁H₆₂Cl₃N₆O₁₃PS₂ 
• 116113-52-1 Thiocarbonic acid S-butyl ester O-{2-butylsulfanylcarbonylamino-9-[(2R,3R,4R,5R)-4-[(5-chloro-quinolin-8-yloxy)-(2,6-dichloro-phenoxy)-phosphoryloxy]-5-hydroxymethyl-3-(tetrahydro-pyran-2-yloxy)-tetrahydro-furan-2-yl]-9H-purin-6-yl} ester 
• 116135-05-8 Thiocarbonic acid O-{9-[(2R,3R,4R,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-3-(tetrahydro-pyran-2-yloxy)-tetrahydro-furan-2-yl]-2-butylsulfanylcarbonylamino-9H-purin-6-yl} ester S-butyl ester 
• 114744-11-5 C₃₃H₃₅N₅O₉S 

Relevant articles and documents

The thermal and mass spectral fragmentation of N-butyl thiolo-, thiono-, and dithio-chloroformate

Thermal decomposition of n-butyl thiolochloroformate at 150C follows a similar pattern to that reported previously for n-butyl chloroformate, to give butyl chloride which is largely rearranged to the s-butyl isomer. An ion-pair mechanism, involving 1,2-and 1,3-hydride shifts, is proposed. The less stable thiono-and dithio-chloroformates decompose to give lower yields of butyl chlorides (mainly without rearrangement) together with numerous other byproducts, indicating the operation of a more complex combination of reaction pathways. The mass spectra of all three thio compounds exhibit molecular ions; the most prominent fragment ions in their spectra are the n-butyl cation, and the radical cations COS+ and CS2+. Numerous chlorine-containing ions of low intensity are also observed, and their mode of formation is discussed. Copyright Taylor &Francis Group, LLC.