HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE

Modify Date: 2025-08-27 23:15:40

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE structure	Common Name	HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE
	CAS Number	599-52-0	Molecular Weight	300.78200
	Density	1.85g/cm3	Boiling Point	318.6ºC at 760 mmHg
	Molecular Formula	C₆Cl₆O	Melting Point	N/A
	MSDS	N/A	Flash Point	134ºC

Name	2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one
Synonym	More Synonyms

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
InChIKey	SLKWROUNLHVIIQ-UHFFFAOYSA-N
SMILES	O=C1C(Cl)=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl

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

Precursor 8
CAS#:87-86-5 Peratox CAS#:118-92-3 Anthranilic acid CAS#:108-95-2 Phenol CAS#:21306-21-8 2,3,4,5,6,6-HEX...
CAS#:533-58-4 iodophenol CAS#:626-43-7 3,5-Dichloroaniline CAS#:7462-04-6 2,3,4,4,5,6,6-h... CAS#:527-20-8 Pentachloroaniline
DownStream 9
CAS#:1441-02-7 pentachlorophen... CAS#:75-44-5 phosgene CAS#:118-74-1 Hexachlorobenzene CAS#:3019-98-5 benzoic acid,2,...
CAS#:118-75-2 CHLORANIL CAS#:87-86-5 Peratox CAS#:7497-08-7 Phenol, pentach... CAS#:6912-20-5 1-(benzenesulfo...
CAS#:5435-61-0 (2,3,4,5,6-pent...

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 2, Current Page 1 of 1

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

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Product Name: HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE
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Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONEBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.