ChemicalBook Product Catalog Chemical Reagents Organic reagents Cyanate ester / isocyanate Hexyl isocyanate

Hexyl isocyanate

Hexyl isocyanate Basic information
Product Name:Hexyl isocyanate
Synonyms:1-isocyanato-hexan;1-isocyanato-Hexane;hic;isocyanated’hexyle;isocyanicacid,hexylester;1-hexyl isocyanate;N-HEXYL ISOCYANATE;ISOCYANIC ACID N-HEXYL ESTER
CAS:2525-62-4
MF:C7H13NO
MW:127.18
EINECS:219-763-8
Product Categories:Isocyanates;Nitrogen Compounds;Organic Building Blocks;Pharmaceutical Intermediates
Mol File:2525-62-4.mol
Hexyl isocyanate Structure
Hexyl isocyanate Chemical Properties
Boiling point 162-164 °C (lit.)
density 0.873 g/mL at 25 °C (lit.)
refractive index n20/D 1.421(lit.)
Fp 140 °F
form Liquid
Specific Gravity0.878
color Colorless to slightly yellow
Water Solubility DECOMPOSES
BRN 1751836
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKeyANJPRQPHZGHVQB-UHFFFAOYSA-N
SMILESC(N=C=O)CCCCC
CAS DataBase Reference2525-62-4(CAS DataBase Reference)
EPA Substance Registry SystemHexane, 1-isocyanato- (2525-62-4)
Safety Information
Hazard Codes Xn,Xi
Risk 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
HS Code 29291090
MSDS Information
ProviderLanguage
Hexyl isocyanate English
SigmaAldrich English
ACROS English
Hexyl isocyanate Usage And Synthesis
Chemical Propertiescolorless to slightly yellow liquid
UsesHexyl isocyanate may be employed for the synthesis of following:
  • rigid-rod, helical isocyanate-based macromonomers
  • rod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerization
  • chiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization
DefinitionChEBI: 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 DescriptionHexyl 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.
FURFURYL ISOCYANATE 97 Pentyl isocyanate 1,12-DIISOCYANATODODECANE TRIMETHYL-1,6-HEXAMETHYLENE DIISOCYANATE ETHYL 6-ISOCYANATOHEXANOATE ISOTHIOCYANATE, POLYMER-BOUND, 200-400 POLY(HEXYL ISOCYANATE) [6-[Bis[(6-isocyanatohexyl)aminocarbonyl]amino]hexyl] isocyanate Dodecyl isocyanate Octadecyl isocyanate ISOCYANATE UNDECYL ISOCYANATE (TRIDECAFLUORO-1-HEXYL)ISOCYANATE,(PERFLUORO-1-HEXYL)ISOCYANATE Octyl isocyanate Isocyanatocyclohexane 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE HEXADECYL ISOCYANATE Hexyl isocyanate
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