Product Name

  • Name

    1,2,4,5,7,8-hexachloro(9H)xanthene

  • EINECS
  • CAS No. 38178-99-3
  • Density 1.699g/cm3
  • Solubility
  • Melting Point
  • Formula C13H4Cl6O
  • Boiling Point 507.7°Cat760mmHg
  • Molecular Weight 388.87
  • Flash Point 193.4°C
  • Transport Information
  • Appearance
  • Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 38178-99-3 (1,2,4,5,7,8-hexachloro(9H)xanthene)
  • Hazard Symbols
  • Synonyms 9H-Xanthene,1,2,4,5,7,8-hexachloro;1,2,4,5,7,8-Hexachloro(9H)xanthene;
  • PSA 9.23000
  • LogP 7.30350

9H-Xanthene, 1,2,4,5,7,8-hexachloro- Chemical Properties

Molecular Formula: C13H4Cl6O
Molecular Weight: 388.888260 g/mol
The Molecular Structure of 9H-Xanthene, 1,2,4,5,7,8-hexachloro- (CAS NO.38178-99-3):
IUPAC: 1,2,4,5,7,8-hexachloro-9H-xanthene
log P (octanol-water): 8.170
Water Solubility:  2.91E-05 mg/L at 25°C
Henry's Law Constant: 7.89E-06 atm-m3/mole at 25°C
Atmospheric OH Rate Constant: 1.67E-12 cm3/molecule-sec at 25°C 
Density: 1.699 g/cm3
Flash Point: 193.4 °C
Enthalpy of Vaporization: 74.84 kJ/mol
Boiling Point: 507.7 °C at 760 mmHg
Vapour Pressure: 6.3E-10 mmHg at 25°C
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.94 ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 5.5): 111559.45 ACD/BCF (pH 7.4): 111559.45
ACD/KOC (pH 5.5): 142752.41 ACD/KOC (pH 7.4): 142752.41
Polar Surface Area: 9.23Å2
Index of Refraction: 1.662
Molar Refractivity: 84.77 cm3
Molar Volume: 228.8 cm3
Surface Tension: 56.2 dyne/cm
InChI: InChI=1/C13H4Cl6O/c14-6-2-8(16)12-4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)20-12/h2-3H,1H2
Smiles: c12c(Cc3c(c(Cl)cc(c3O1)Cl)Cl)c(c(Cl)cc2Cl)Cl

9H-Xanthene, 1,2,4,5,7,8-hexachloro- Toxicity Data With Reference

1.    

orl-gpg LD50:>12,500 µg/kg

     JTEHD6    Journal of Toxicology and Environmental Health. 20 (1987),241.

9H-Xanthene, 1,2,4,5,7,8-hexachloro- Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of Cl−.

9H-Xanthene, 1,2,4,5,7,8-hexachloro- Specification

 9H-Xanthene, 1,2,4,5,7,8-hexachloro- (CAS NO.38178-99-3) is also called as 1,2,4,5,7,8-Hexachloro(9H)xanthene ; 1,2,4,5,7,8-Hexachloro-9H-xanthene ; 5-17-02-00254 (Beilstein Handbook Reference) ; BRN 1399805 .

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