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Hexyl isocyanate

Basic information Safety Supplier Related

Hexyl isocyanate Basic information

Product Name:
Hexyl isocyanate
Synonyms:
  • 1-isocyanato-hexan
  • 1-isocyanatohexane
  • 1-isocyanato-Hexane
  • hi
  • hic
  • isocyanated’hexyle
  • isocyanicacid,hexylester
  • 1-hexyl isocyanate
CAS:
2525-62-4
MF:
C7H13NO
MW:
127.18
EINECS:
219-763-8
Product Categories:
  • Isocyanates
  • Nitrogen Compounds
  • Pharmaceutical Intermediates
  • Organic Building Blocks
Mol File:
2525-62-4.mol
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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.)
Flash point:
140 °F
form 
Liquid
Specific Gravity
0.878
color 
Colorless to slightly yellow
Water Solubility 
DECOMPOSES
BRN 
1751836
InChI
InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey
ANJPRQPHZGHVQB-UHFFFAOYSA-N
SMILES
C(N=C=O)CCCCC
CAS DataBase Reference
2525-62-4(CAS DataBase Reference)
EPA Substance Registry System
Hexane, 1-isocyanato- (2525-62-4)
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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
10-19-21
HazardClass 
6.1(a)
PackingGroup 
II
HS Code 
29291090

MSDS

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Hexyl isocyanate Usage And Synthesis

Chemical Properties

colorless to slightly yellow liquid

Uses

Hexyl 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

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.

Hexyl isocyanate Preparation Products And Raw materials

Raw materials

Hexyl isocyanateSupplier

Shaanxi DIDU pharmaceutical and Chemical Co., Ltd Gold
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J & K SCIENTIFIC LTD.
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TCI (Shanghai) Development Co., Ltd.
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Energy Chemical
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021-021-58432009 400-005-6266
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