2525-62-4

Basic information

• Product Name: Hexyl isocyanate
• Synonyms: 1-isocyanato-hexan;1-isocyanatohexane;1-isocyanato-Hexane;hi;hic;isocyanated’hexyle;isocyanicacid,hexylester;N-HEXYL ISOCYANATE
• CAS NO: 2525-62-4
• Molecular Formula: C₇H₁₃NO
• Molecular Weight: 127.18
• EINECS: 219-763-8
• Product Categories: Pharmaceutical Intermediates;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 2525-62-4.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 162-164 °C(lit.)
• Flash Point: 140 °F
• Appearance: Colorless to slightly yellow/Liquid
• Density: 0.873 g/mL at 25 °C(lit.)
• Vapor Pressure: 5.95mmHg at 25°C
• Refractive Index: n20/D 1.421(lit.)
• Water Solubility: DECOMPOSES
• BRN: 1751836
• CAS DataBase Reference: Hexyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: Hexyl isocyanate(2525-62-4)
• EPA Substance Registry System: Hexyl isocyanate(2525-62-4)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 10-20/21/22-42-36/37/38
• Safety Statements: 23-36/37-37/39-26
• RIDADR: UN 3080 6.1/PG 2
• WGK Germany: 3
• F: 10-19-21
• HazardClass: 6.1(a)
• PackingGroup: II
• Hazardous Substances Data: 2525-62-4(Hazardous Substances Data)

Usage

Chemical Properties

colorless to slightly yellow liquid

Uses

Hexyl isocyanate may be employed for the synthesis of following:rigid-rod, helical isocyanate-based macromonomersrod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerizationchiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization

Definition

ChEBI: An isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs.

General Description

Hexyl isocyanate has been investigated for its antigenicity in the guinea pig animal model of hapten-specific respiratory hypersensitivity. Polymerization of n-hexyl isocyanate using rare earth tris(2,6-di-tert-butyl-4-methylphenolate) [Ln(OAr)3] as initiator has been studied.

InChI:InChI=1/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

Upstream product

• 2528-61-2 Heptanoic acid chloride 
• 15210-87-4 N-hexyl-3-oxobutaneamide 
• 111-26-2 hexan-1-amine 
• 501-53-1 benzyl chloroformate 
• 71-43-2 benzene 
• 75-44-5 phosgene 
• 15586-23-9 n-hexyl isocyanide 
• 10028-15-6 ozone 
• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 111-25-1 1-bromo-hexane 
• 30406-18-9 heptanohydroxamic acid 
• 503-38-8 trichloromethyl chloroformate 

Downstream Products

• 2158-11-4 1-hexylurea 
• 68468-73-5 N-<(Z)-α-Bromostyrylsulfonyl>-N'-hexylharnstoff 
• 97016-73-4 1-(4'-Diethylamino-acetamido-3',5'-dimethylphenyl)-3-hexyl-harnstoff 
• 68468-61-1 (4,4-dioxo-6-phenyl-4H-4λ⁶-[1,4,3]oxathiazin-2-yl)-hexyl-amine 
• 68468-77-9 N-<(Z)-β-Chlorostyrylsulfonyl>-N'-hexylharnstoff 
• 34207-77-7 C₁₇H₂₅N₃O₄ 
• 34207-16-4 C₁₈H₂₇N₃O₄ 
• 34207-90-4 C₁₉H₂₉N₃O₄ 
• 34203-82-2 C₁₉H₂₉N₃O₄ 
• 960540-97-0 1-benzyl-3-n-hexylurea 
• 74797-26-5 1-(6,11-dihydrodibenzothiepin-11-yl)-3-(n-hexyl)urea 
• 2763-88-4 N,N'-di-n-hexylurea 
• 105426-49-1 3-(3-Hexyl-ureido)-3-phenyl-propionic acid 
• 104446-83-5 4-[6-(3-Hexyl-ureido)-indol-1-ylmethyl]-3-methoxy-benzoic acid methyl ester 

Relevant articles and documents

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Isomeric anthracene diimide polymers

N-type semiconducting polymers are attractive for organic electronics, but desirable electron-deficient units for synthesizing such polymers are still lacking. As a cousin of rylene diimides such as naphthalene diimide (NDI) and perylene diimide (PDI), anthracene diimide (ADI) is a promising candidate; its polymers, however, have not been achieved yet because of synthetic challenges for its polymerizable monomers. Herein, we present ingenious synthesis of two dibromide ADI monomers with dibromination at differently symmetrical positions of the ADI core, which are further employed to construct ADI polymers. More interestingly, the two obtained ADI polymers possess the same main-chain and alkyl-chain structures but different backbone conformations owing to varied linking positions between repeating units. This feature enables their different optoelectronic properties and film-state packing behavior. The ADI polymers offer first examples of conjugated polymer conformational isomers and are highly promising as a new class of n-type semiconductors for various organic electronics applications.

Method for manufacturing pentamethylene diisocyanate

The present invention provides a method for manufacturing pentamethylene diisocyanate. The method for manufacturing pentamethylene diisocyanate of the present invention manufactures intermediates by using dialkyl carbonate. By thermally decomposing the intermediates under a specific polymerization inhibitor, the method can manufacture the pentamethylene diisocyanate having excellent purity in a high yield.