Product Name

  • Name

    1,1,2,3,4-pentachlorobutane

  • EINECS
  • CAS No. 31391-27-2
  • Density 1.509g/cm3
  • Solubility
  • Melting Point
  • Formula C4H5 Cl5
  • Boiling Point 230°C at 760 mmHg
  • Molecular Weight 230.34
  • Flash Point 101.7°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
  • Risk Codes
  • Molecular Structure Molecular Structure of 31391-27-2 (1,1,2,3,4-pentachlorobutane)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Pentachlorobutane Chemical Properties

Product Name: Pentachlorobutane (CAS NO.31391-27-2)


Molecular Formula: C4H5Cl5
Molecular Weight: 230.34g/mol
Mol File: 31391-27-2.mol
Boiling point: 230 °C at 760 mmHg
Flash Point: 101.7 °C
Density: 1.509 g/cm3
Surface Tension: 36.7 dyne/cm
Enthalpy of Vaporization: 44.77 kJ/mol
Vapour Pressure: 0.102 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Pentachlorobutane (CAS NO.31391-27-2):
  IUPAC Name: 1,1,2,3,4-pentachlorobutane 
  Canonical SMILES: C(C(C(C(Cl)Cl)Cl)Cl)Cl
  InChI: InChI=1S/C4H5Cl5/c5-1-2(6)3(7)4(8)9/h2-4H,1H2 
  InChIKey: AGCPZMJBXSCWQY-UHFFFAOYSA-N

Pentachlorobutane Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1400mg/kg (1400mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(2), Pg. 9, 1963.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 28(2), Pg. 9, 1963.

Pentachlorobutane Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, ALIPHATIC.

Pentachlorobutane Specification

 Pentachlorobutane , its CAS NO. is 31391-27-2, the synonyms are PCB1 ; Butane, pentachloro- .

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