Product Name

  • Name

    1-chloro-4-isocyanatocyclohexane

  • EINECS
  • CAS No. 13654-91-6
  • Density 1.24g/cm3
  • Solubility
  • Melting Point
  • Formula C7H10ClNO
  • Boiling Point 226.8°Cat760mmHg
  • Molecular Weight 161.631
  • Flash Point 81.3°C
  • Transport Information
  • Appearance
  • Safety Poison by inhalation. See also THIOCYANATES and ESTERS. A flammable liquid. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 13654-91-6 (1-chloro-4-isocyanatocyclohexane)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Chlorohexyl isocyanate Chemical Properties

IUPAC Name: 1-Chloro-4-Isocyanatocyclohexane 
Following is the structure of Chlorohexyl isocyanate (CAS NO.13654-91-6):
                 
Empirical Formula: C7H10ClNO
Molecular Weight: 159.6134 g/mol
Surface Tension: 41.3 dyne/cm
Density: 1.24 g/cm3
Flash Point: 81.3 °C
Index of Refraction: 1.55
Enthalpy of Vaporization: 46.33 kJ/mol
Boiling Point: 226.8 °C at 760 mmHg
Vapour Pressure of Chlorohexyl isocyanate (CAS NO.13654-91-6): 0.0804 mmHg at 25 °C
Canonical SMILES: C1CC(CCC1N=C=O)Cl
InChI: InChI=1S/C7H10ClNO/c8-6-1-3-7(4-2-6)9-5-10/h6-7H,1-4H2
InChIKey: ZUQBWPZNPMMWQK-UHFFFAOYSA-N

Chlorohexyl isocyanate Toxicity Data With Reference

1.    

ihl-rat LCLo:60 mg/m3/4H

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 12 (10)(1968),40.
2.    

ihl-mus LC50:69 mg/m3/2H

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 12 (10)(1968),40.

Chlorohexyl isocyanate Safety Profile

Poison by inhalation. See also THIOCYANATES and ESTERS. A flammable liquid. When heated to decomposition, Chlorohexyl isocyanate (CAS NO.13654-91-6) emits very toxic fumes of Cl− and NOx.

Chlorohexyl isocyanate Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD (UN 2207); DOT Class: 6.1; Label: Poison (UN 2206); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3080); DOT Class: 3; Label: Flammable Liquid, Poison (UN 2478)

Chlorohexyl isocyanate Specification

 Chlorohexyl isocyanate , its cas register number is 13654-91-6. It also can be called 6-Chlorhexylisokyanat ; 6-Chlorohexamethylene isocyanate ; 6-Chlorohexyl isocyanate ; and omega-Chorohexyl isocyanate . 

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