Product Name

  • Name

    5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide

  • EINECS
  • CAS No. 14458-95-8
  • Density 2.32g/cm3
  • Solubility
  • Melting Point
  • Formula C10H6 Cl6 N2 O
  • Boiling Point 449.1°Cat760mmHg
  • Molecular Weight 382.888
  • Flash Point 225.4°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. When heated to decomposition it emits toxic fumes of Cl and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 14458-95-8 (5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide)
  • Hazard Symbols
  • Synonyms 1,4:5,8-Dimethanophthalazine,5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-, oxide (6CI); SD 3450
  • PSA 41.11000
  • LogP 3.57570

5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide Chemical Properties

Empirical Formula: C10H6Cl6N2O
Molecular Weight: 382.8854g/mol
Structure of 5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide (CAS NO.14458-95-8):

Index of Refraction: 1.883
Molar Refractivity: 75.49 cm3
Molar Volume: 164.3 cm3
Polarizability: 29.92×10-24cm3
Surface Tension: 84.6 dyne/cm
Density: 2.32 g/cm3
Flash Point: 225.4 °C
Enthalpy of Vaporization: 68.05 kJ/mol
Boiling Point: 449.1 °C at 760 mmHg
Vapour Pressure: 7.81E-08 mmHg at 25°C 
Classification Code: Insecticide 
Canonical SMILES: C1C2C3C(C1[N+](=N2)[O-])C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H6Cl6N2O/c11-6-7(12)9(14)5-3-1-2(17-18(3)19)4(5)8(6,13)10(9,15)16/h2-5H,1H2
InChIKey: VYPDNJFWSQKSHQ-UHFFFAOYSA-N

5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide Toxicity Data With Reference

1.    

orl-rat LD50:2800 µg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
2.    

orl-mus LDLo:5500 µg/kg

    AECTCV    Archives of Environmental Contamination and Toxicology. 14 (1985),111.
3.    

orl-bwd LD50:25 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.

5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide Safety Profile

Poison by ingestion. When heated to decomposition it emits toxic fumes of Cl and NOx.

5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide Specification

  5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine 2-oxide , its cas register number is 14458-95-8. It also can be called 1,4:5,8-Dimethanophthalazine, 5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-, oxide (6CI) ; 4-23-00-01184 (Beilstein Handbook Reference) ; AI3-25582 ; BRN 0042225 ; ENT 25582 ; SD 3450 ; Shell SD-3450 .

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