15585-98-5

Basic information

• Product Name: SEC-BUTYL ISOCYANATE 98
• Synonyms: SEC-BUTYL ISOCYANATE 98;Isocyanic acid, sec-butyl ester
• CAS NO: 15585-98-5
• Molecular Formula: C₅H₉NO
• Molecular Weight: 99.13
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 15585-98-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 101 °C(lit.)
• Flash Point: 38 °F
• Appearance: /
• Density: 0.864 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.87 psi ( 20 °C)
• Refractive Index: n20/D 1.4(lit.)
• CAS DataBase Reference: SEC-BUTYL ISOCYANATE 98(CAS DataBase Reference)
• NIST Chemistry Reference: SEC-BUTYL ISOCYANATE 98(15585-98-5)
• EPA Substance Registry System: SEC-BUTYL ISOCYANATE 98(15585-98-5)

Safety Data

• Hazard Codes: F,T+
• Statements: 11-14-22-26-34-37-42
• Safety Statements: 16-26-36/37/39-45
• RIDADR: UN 3383 6.1/PG 1
• WGK Germany: 3
• HazardClass: TOXIC BY INHALATION, FLAMMABLE
• Hazardous Substances Data: 15585-98-5(Hazardous Substances Data)

Usage

Uses

2-Isocyanatobutane is used in preparation of Quinazolinedione fragment-containing compounds as herbicides.

InChI:InChI=1/C5H9NO/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

Upstream product

• 89029-20-9 C₈H₁₉NO₂Si 
• 33966-50-6 SEC-BUTYLAMINE 
• 503-38-8 trichloromethyl chloroformate 
• 75-44-5 phosgene 
• 10049-60-2 sec-butylamine hydrochloride 

Downstream Products

• 34196-80-0 C₁₅H₂₁N₃O₄ 
• 34327-58-7 C₁₆H₂₃N₃O₄ 
• 34207-51-7 C₁₇H₂₅N₃O₄ 
• 34207-23-3 C₁₇H₂₅N₃O₄ 
• 34203-62-8 C₁₇H₂₅N₃O₄ 
• 37801-31-3 sec-Butyl-carbamic acid 3-ethylsulfanylcarbonylamino-phenyl ester 
• 5827-73-6 Propionsaeure-N-sek.-butylamid 
• 37798-14-4 sec-Butyl-carbamic acid 3-methylsulfanylcarbonylamino-phenyl ester 
• 1374854-19-9 C₅₉H₆₂N₂O₁₂ 
• 1374854-13-3 C₃₁H₃₈N₂O₁₂ 
• 60392-18-9 1-cyclohexyl-3-sec-butyl-urea 
• 1581259-12-2 N-sec-butyl-4-[(4-chlorophenyl)(phenyl)methyl]piperazine-1-carboxamide 
• 1581258-98-1 N-sec-butyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide 
• 1071382-92-7 N-sec-butyl-4-(diphenylmethyl)piperazine-1-carboxamide 

Relevant articles and documents

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Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates

Silylation of a series of aliphatic, carbocyclic, and fatty-aromatic amines gave the corresponding silyl derivatives whose yield depended on the electronic and steric structure of the substrate and the nature of the silylating agent. The yield of isocyanates obtained by phosgenation of the silyl derivatives under mild conditions decreased in going from aliphatic amines to benzylamines and rose as the length of the alkyl chain in fatty-aromatic amines extended. The most convenient procedure for the synthesis of low-boiling alkyl isocyanates was found to be based on the transformation of amines or ammonium salts into silyl or silyl silyl-carabamates, followed by pyrolysis of the latter in the presence of trichloro(phenyl)silane. Pleiades Publishing, Inc., 2006.