Product Name

  • Name

    6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz[c,e]azepine

  • EINECS
  • CAS No. 63918-66-1
  • Density 1.226g/cm3
  • Solubility
  • Melting Point
  • Formula C17H15 Cl2 N
  • Boiling Point 429.4°Cat760mmHg
  • Molecular Weight 304.23
  • Flash Point 213.5°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravenous routes. When heated to decomposition it yields highly toxic fumes of chlorides and NOx. See also ALLYL COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63918-66-1 (6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz[c,e]azepine)
  • Hazard Symbols
  • Synonyms 5H-Dibenz[c,e]azepine,3,9-dichloro-6,7-dihydro-6-(2-propenyl)- (9CI)
  • PSA 3.24000
  • LogP 5.09990

6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine Chemical Properties

IUPAC Name: 3,9-dichloro-6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine 
Empirical Formula: C17H15Cl2N
Molecular Weight: 304.2137g/mol
Structure of 6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine (CAS NO.63918-66-1):

Index of Refraction: 1.605
Molar Refractivity: 85.44 cm3
Molar Volume: 247.9 cm3
Polarizability: 33.87×10-24cm3
Surface Tension: 42.8 dyne/cm
Density: 1.226 g/cm3
Flash Point: 213.5 °C
Enthalpy of Vaporization: 68.47 kJ/mol
Boiling Point: 429.4 °C at 760 mmHg
Vapour Pressure: 1.4E-07 mmHg at 25°C 
Canonical SMILES: C=CCN1CC2=C(C=CC(=C2)Cl)C3=C(C1)C=C(C=C3)Cl
InChI: InChI=1S/C17H15Cl2N/c1-2-7-20-10-12-8-14(18)3-5-16(12)17-6-4-15(19)9-13(17)11-20/h2-6,8-9H,1,7,10-11H2
InChIKey: KMAVLDDABBYQQM-UHFFFAOYSA-N

6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine Toxicity Data With Reference

1.    

ipr-mus LD50:316 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 103 (1951),10.
2.    

ivn-mus LD50:47 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 103 (1951),10.

6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition it yields highly toxic fumes of chlorides and NOx. See also ALLYL COMPOUNDS.

6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine Specification

  6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine , its cas register number is 64058-30-6. It also can be called 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl-3,9-dichloro- ; Ro 2-4106 . 6-Allyl-6,7-dihydro-3,9-dichloro-5H-dibenz(c,e)azepine (CAS NO.63918-66-1) is toxic and the storage environment should be ventilate, low-temperature and dry.

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