Product Name

  • Name

    Pentachloromandelonitrile

  • EINECS
  • CAS No. 21727-09-3
  • Density 1.758g/cm3
  • Solubility
  • Melting Point
  • Formula C8H2 Cl5 N O
  • Boiling Point 417.5°Cat760mmHg
  • Molecular Weight 305.375
  • Flash Point 206.3°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 21727-09-3 (Pentachloromandelonitrile)
  • Hazard Symbols Moderately toxic by skin contact.
  • Synonyms Mandelonitrile,2,3,4,5,6-pentachloro- (8CI); (Pentachlorophenyl)glycolonitrile;2,3,4,5,6-Pentachloromandelonitrile; Oryzon; PCMN; Pentachloromandelonitrile
  • PSA 44.02000
  • LogP 4.51058

Pentachloromandelonitrile Chemical Properties

Molecular Structure of Pentachloromandelonitrile (CAS NO. 21727-09-3):

IUPAC Name: 2-Hydroxy-2-(2,3,4,5,6-pentachlorophenyl)acetonitrile 
Molecular Formula: C8H2Cl5NO
Molecular Weight: 305.372580 g/mol
XLogP3-AA: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: C(#N)C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
InChI: InChI=1S/C8H2Cl5NO/c9-4-3(2(15)1-14)5(10)7(12)8(13)6(4)11/h2,15H
InChIKey: SMARLDCRQUMZJR-UHFFFAOYSA-N
Index of Refraction: 1.629
Molar Refractivity: 61.72 cm3
Molar Volume: 173.6 cm3
Surface Tension: 61.8 dyne/cm
Density: 1.758 g/cm3
Flash Point: 206.3 °C
Enthalpy of Vaporization: 70.73 kJ/mol
Boiling Point: 417.5 °C at 760 mmHg
Vapour Pressure: 1.02E-07 mmHg at 25 °C
Water Solubility: 10.48 mg/L at 25 °C
BRN of Pentachloromandelonitrile (CAS NO. 21727-09-3): 2138728

Pentachloromandelonitrile Toxicity Data With Reference

1.    

skn-mus LD50:2500 mg/kg

     GUCHAZ    Guide to the Chemicals Used in Crop Protection 6 (1973),380.

Pentachloromandelonitrile Safety Profile

Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Pentachloromandelonitrile Specification

  Pentachloromandelonitrile with cas registry number of 21727-09-3 is called for (Pentachlorophenyl)glycolonitrile ; Oryzon ; PCMN ; Benzeneacetonitrile, 2,3,4,5,6-pentachloro-alpha-hydroxy- (9CI) ; Mandelonitrile, 2,3,4,5,6-pentachloro- (8CI) ; Mandelonitrile, pentachloro- .

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