Captafol

Modify Date: 2026-07-16 10:44:41

Captafol structure	Common Name	Captafol
	CAS Number	2425-06-1	Molecular Weight	349.061
	Density	1.6±0.1 g/cm3	Boiling Point	365.7±52.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₉Cl₄NO₂S	Melting Point	160-161°
	MSDS	Chinese USA	Flash Point	175.0±30.7 °C
	Symbol	GHS07, GHS08, GHS09	Signal Word	Danger

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

Name	captafol
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	1.6±0.1 g/cm3
Boiling Point	365.7±52.0 °C at 760 mmHg
Melting Point	160-161°
Molecular Formula	C₁₀H₉Cl₄NO₂S
Molecular Weight	349.061
Flash Point	175.0±30.7 °C
Exact Mass	346.910797
PSA	62.68000
LogP	2.40
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.629
InChIKey	JHRWWRDRBPCWTF-UHFFFAOYSA-N
SMILES	O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW4900000

CHEMICAL NAME :: 4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-

CAS REGISTRY NUMBER :: 2425-06-1

BEILSTEIN REFERENCE NO. :: 1543712

LAST UPDATED :: 199712

DATA ITEMS CITED :: 53

MOLECULAR FORMULA :: C10-H9-Cl4-N-O2-S

MOLECULAR WEIGHT :: 349.06

WISWESSER LINE NOTATION :: T56 BVNV GUTJ CSXGGYGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >6 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 15400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 45360 mg/kg/12W-C

TOXIC EFFECTS :: Liver - other changes Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in spleen weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 65520 mg/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 60480 mg/kg/96W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15120 mg/kg/96W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Cardiac - tumors Gastrointestinal - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 11 gm/kg

SEX/DURATION :: multigenerations

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 250 mg/kg

SEX/DURATION :: male 5 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 500 mg/kg

SEX/DURATION :: male 5 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 975 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 200 mg/kg

SEX/DURATION :: female 8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 400 mg/kg

SEX/DURATION :: female 7 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System

TYPE OF TEST :: Morphological transformation

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Lung

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,177,1980 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 0.1 mg/m3 (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,353,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,353,1991 IARC Cancer Review:Group 2A IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,353,1991 TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 32,3,1975 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.1 mg/m3 JAN 1993 OEL-BELGIUM:TWA 0.1 mg/m3 JAN 1993 OEL-DENMARK:TWA 0.1 mg/m3 JAN 1993 OEL-FRANCE:TWA 0.1 mg/m3;Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.1 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg/m3;Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO CAPTAFOL-air:10H CA TWA 0.1 mg/m3 (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2985 No. of Facilities: 59 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 117 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07, GHS08, GHS09
Signal Word	Danger
Hazard Statements	H317-H350-H410
Precautionary Statements	P201-P273-P280-P308 + P313-P501
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	T,N
Risk Phrases	45-43-50/53
Safety Phrases	S45;S53;S60;S61
RIDADR	UN3077 9/PG 3
RTECS	GW4900000

This table lists relevant public references with title, journal and publication metadata for this compound.

DNA damage and micronuclei induced in rat and human kidney cells by six chemicals carcinogenic to the rat kidney.

Toxicology 204(2-3) , 187-95, (2004)

Six chemicals, known to induce kidney tumors in rats, were examined for their ability to induce DNA fragmentation and formation of micronuclei in primary cultures of rat and human kidney cells, and in...

Captafol.

Rep. Carcinog. 12 , 83-6, (2011)

[Determination of captafol, cyhexatin, 1-naphthylacetic acid and quintozene in apple, Japanese pear and melon by simultaneous extraction].

Shokuhin Eiseigaku Zasshi 44(2) , 126-31, (2003)

A simple and rapid method is described for the determination of the non-registered pesticides, captafol, quintozene (PCNB), cyhexatin and 1-naphthylacetic acid (NAA), in fruits. These pesticides were ...

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

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293

Name: Adrenergic beta2 receptor (ADRB2) small molecule antagonists, cell-based qHTS assay
Source: 824
External Id: ADRB2713

Total 208, Current Page 1 of 21

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

3a,4,7,7a-tetrahydro-N-(1,1,2,2-tetrachloroethanesulfenyl)phthalimide

FOLTAF

Captatol

2-(1,1,2,2-tetrachloro-ethylsulfanyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

haipen

EINECS 219-363-3

N-(1,1,2,2-tetrachloroethylthio)-1,2,3,6-tetrahydrophthalimide

N-(1,1,2,2-tetrachloroethylthio)cyclohex-4-ene-1,2-dicarboximide

Sanspor

cs5623

2-[(1,1,2,2-Tetrachloroethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Difosan

3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione

Captofol

MFCD00041816

Folcid

3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione (9CI)

Captafol

kenofol

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

Q: What is the LogP of captafol?

A: LogP of captafol is 2.40.

Q: What is the InChIKey of captafol?

A: InChIKey of captafol is JHRWWRDRBPCWTF-UHFFFAOYSA-N.

Q: What is the polar surface area (PSA) of captafol?

A: Polar surface area (PSA) of captafol is 62.68000.

Q: What is the molecular formula of captafol?

A: Molecular formula of captafol is C10H9Cl4NO2S.

Q: What is the molecular weight of captafol?

A: Molecular weight of captafol is 349.061.

Q: What is the SMILES notation of captafol?

A: SMILES notation of captafol is O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl.

Q: What is the safety information for captafol?

A: Safety information for captafol: S45;S53;S60;S61.

Q: What is the CAS number of captafol?

A: CAS number of captafol is 2425-06-1.

Q: What is the English name of captafol?

A: The English name of captafol is captafol.

Q: What is the melting point of captafol?

A: Melting point of captafol is 160-161°.

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.

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Captafol

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Articles26

CaptafolBioassay

Synonyms

Captafol | FAQ

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.