HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE

Suppliers

Names

[ CAS No. ]:
599-52-0

[ Name ]:
HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE

[Synonym ]:
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dienone
2,3,4,4,5,6-hexachloro-2,5-cyclohexadiene-1-one
Hexachloro-2,5-cyclohexadienone
2,3,4,4,5,6-hexachlorocyclohexa 2,5-dien 1-one
Hexachlor-cyclohexa-2,5-dienon
hexachloro-cyclohexa-2,5-dienone
Pentachlorphenol-chlor
USAF DO-65
Hexachloro-2,5-cyclohexadien-1-one
Hexachlorfenol [Czech]
hexachlorocyclohexa-2,5-dien-1-one
2,3,4,4,5,6-hexachloro-cyclohexadiene-(2,5)-one-(1)
Hexachlorocyclohexadienone
Hexachlorfenol

Chemical & Physical Properties

[ Density]:
1.85g/cm3

[ Boiling Point ]:
318.6ºC at 760 mmHg

[ Molecular Formula ]:
C6Cl6O

[ Molecular Weight ]:
300.78200

[ Flash Point ]:
134ºC

[ Exact Mass ]:
297.80800

[ PSA ]:
17.07000

[ LogP ]:
4.12140

[ Index of Refraction ]:
1.602

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU5600000
CHEMICAL NAME :
2,5-Cyclohexadien-1-one, 2,3,4,4,5,6-hexachloro-
CAS REGISTRY NUMBER :
599-52-0
BEILSTEIN REFERENCE NO. :
2055056
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-Cl6-O
MOLECULAR WEIGHT :
300.76
WISWESSER LINE NOTATION :
L6V DHJ BG CG DG DG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,562,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,562,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,20,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Synthetic Route

Precursor & DownStream

Precursor

  • Peratox
  • Anthranilic acid
  • Phenol
  • 2,3,4,5,6,6-HEXACHLOROCYCLOHEXA-2,4-DIENONE
  • iodophenol
  • 3,5-Dichloroaniline
  • 2,3,4,4,5,6,6-heptachlorocyclohex-2-en-1-one
  • Pentachloroaniline

DownStream

  • pentachlorophenol acetate
  • phosgene
  • Hexachlorobenzene
  • benzoic acid,2,3,4,5,6-pentachlorophenol
  • CHLORANIL
  • Peratox
  • Phenol, pentachloro-, carbonate (2:1)
  • 1-(benzenesulfonyloxy)-2,3,4,5,6-pentachloro-benzene
  • (2,3,4,5,6-pentachlorophenyl) propanoate

Related Compounds

  • 4,4-DIMETHOXY-2,5-CYCLOHEXADIEN-1-ONE
  • 4,4-Diphenyl-2,5-cyclohexadien-1-one 2,4-dinitrophenyl hydrazone
  • 4,4-Dimethyl-2,5-cyclohexadien-1-one phenyl hydrazone
  • 4,4-dimethyl-2,5-cyclohexadien-1-one
  • 3,4,4-Trimethoxy-2,5-cyclohexadien-1-one
  • 4-[(p-Acetylphenyl)imino]-2,5-cyclohexadien-1-one