Product Name

  • Name

    4-CYANO-1-CYCLOHEXENE

  • EINECS
  • CAS No. 100-45-8
  • Article Data20
  • CAS DataBase
  • Density 0.94g/cm3
  • Solubility Insoluble in water
  • Melting Point
  • Formula C7H9 N
  • Boiling Point 200.9°Cat760mmHg
  • Molecular Weight 107.155
  • Flash Point 65.8°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and inhalation. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 100-45-8 (4-CYANO-1-CYCLOHEXENE)
  • Hazard Symbols
  • Synonyms (?à)-3-Cyclohexene-1-carbonitrile;1-Cyano-3-cyclohexene; 3-Cyclohexenecarbonitrile; 3-Cyclohexenyl cyanide;4-Cyano-1-cyclohexene; 4-Cyanocyclohexene; Cyclohex-3-enenitrile; NSC 7407
  • PSA 23.79000
  • LogP 1.86628

3-Cyclohexene-1-Carbonitril Chemical Properties

Chemistry informtion about 3-Cyclohexene-1-Carbonitril (CAS NO.100-45-8) is:
IUPAC Name: Cyclohex-3-Ene-1-Carbonitrile
Synonyms: Timtec-Bb Sbb007998 ; 3-Cyclohexene-1-Carboxylic Acid Nitrile ; 3-Cyclohexene Carbonitrile ; 3-Cyclohexenecyanide ; 3-Cyclohexene-1-Carbonitrile ; 4-Cyanocyclohexene ; 4-Cyanocyclohexene-1 ; 4-Cyano-1-Cyclohexenee
MF: C7H9N
MW: 107.15 
Density: 0.94 g/cm3
Flash Point: 65.8 °C
Boiling Point: 200.9 °C at 760 mmHg
Vapour Pressure: 0.317 mmHg at 25°C 
Enthalpy of Vaporization: 43.71 kJ/mol
Following is the molecular structure of 3-Cyclohexene-1-Carbonitril (CAS NO.100-45-8) is:

3-Cyclohexene-1-Carbonitril Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 9460uL/kg (9.46mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 124ppm/4H (124ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 460mg/kg (460mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

3-Cyclohexene-1-Carbonitril Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

3-Cyclohexene-1-Carbonitril Safety Profile

Moderately toxic by ingestion and inhalation. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES. 
Risk Statements:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
RTECS: GW2625000

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