Pentachlorobenzene

Pentachlorobenzene (PeCB) is an aryl chloride and a five-substituted chlorobenzene with the molecular formula C6HCl5 which is a chlorinated aromatic hydrocarbon. It consists of a benzene ring substituted with five chlorine atoms. PeCB was once used industrially for a variety of uses, but because of environmental concerns there are currently no large scale uses of PeCB. Pentachlorobenzene is a known persistent organic pollutant (POP) and banned globally by the Stockholm Convention on Persistent Organic Pollutants in 2009.

Pentachlorobenzene
Names
Preferred IUPAC name
Pentachlorobenzene
Other names
PeCB
Identifiers
3D model (JSmol)
1911550
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.009.248
EC Number
  • 602-074-00-5
51144
KEGG
RTECS number
  • DA6640000
UNII
  • InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H N
    Key: CEOCDNVZRAIOQZ-UHFFFAOYSA-N N
  • InChI=1/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
    Key: CEOCDNVZRAIOQZ-UHFFFAOYAV
  • c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Properties
C6HCl5
Molar mass 250.32 g·mol−1
Appearance White or colorless crystals
Density 1.8 g/cm3
Melting point 86 °C (187 °F; 359 K)
Boiling point 275 to 277 °C (527 to 531 °F; 548 to 550 K)
0.68 mg/L
Hazards
GHS labelling:
Danger
H228, H302, H410
P210, P240, P241, P264, P270, P273, P280, P301+P312, P330, P370+P378, P391, P501
Lethal dose or concentration (LD, LC):
rat: 1080 mg/kg
mouse: 1175 mg/kg
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references
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