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

Summary: 2,3,4,4,5,6-Hexachlorocyclohexa-2,5-dien-1-one (CAS: 599-52-0), molecular formula: C6Cl6O, molecular weight: 300.78200. For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

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

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

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...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

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

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: Related downstream products(CAS) of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one: 1441-02-7;75-44-5;118-74-1;3019-98-5;118-75-2;87-86-5;7497-08-7;6912-20-5;5435-61-0.

Q: What is the LogP of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: LogP of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is 4.12140.

Q: What is the English name of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: The English name of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one.

Q: What is the SMILES notation of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: SMILES notation of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is O=C1C(Cl)=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl.

Q: What is the boiling point of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: Boiling point of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is 318.6ºC at 760 mmHg.

Q: What is the Chinese name of 599-52-0?

A: Chinese name of 599-52-0 is 599-52-0.

Q: What is the InChIKey of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: InChIKey of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is SLKWROUNLHVIIQ-UHFFFAOYSA-N.

Q: What is the molecular weight of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: Molecular weight of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is 300.78200.

Q: What is the molecular formula of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: Molecular formula of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is C6Cl6O.

Q: What is the polar surface area (PSA) of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one?

A: Polar surface area (PSA) of 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one is 17.07000.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Get all suppliers and price by the below link:

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE suppliers

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE price

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE

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

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONE | FAQ

HEXACHLORO-2,5-CYCLOHEXADIEN-1-ONEfactory

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.