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Basic Information
CAS No.: 2939-80-2
Name: Crisfolatan
Molecular Structure:
Molecular Structure of 2939-80-2 (Crisfolatan)
Formula: C10H9 Cl4 N O2 S
Molecular Weight: 349.065
Synonyms: 1H-Isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-, cis-;4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-, cis-(8CI);N-[(1,1,2,2-Tetrachloroethyl)sulfenyl]-cis-4-cyclohexene-1,2-dicarboximide; TN80; TN 80 (pesticide); cis-Captafol; cis-N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide
Density: 1.64g/cm3
Melting Point: 160.5°C
Boiling Point: 365.7°Cat760mmHg
Flash Point: 175°C
Solubility: 1.422mg/L(20 oC)
Safety: Low toxicity by ingestion and skin contact. Mutation data reported. When heated to decomposition it emits toxic vapors of SOx, NOx, and Cl−.
PSA: 62.68000
LogP: 3.45880
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Chemistry

IUPAC Name: 2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione 
Following is the structure of cis-N-((1,1,2,2-Tetrachloroethyl)thio)-4-cyclohexene-1,2-dicarboximide (CAS NO.2939-80-2):                 
                                                   
Empirical Formula: C10H9Cl4NO2S
Molecular Weight: 349.061 g/mol
Surface Tension: 60.7 dyne/cm
Index of Refraction: 1.628
Flash Point: 175 °C
Enthalpy of Vaporization: 61.21 kJ/mol
Boiling Point: 365.7 °C at 760 mmHg
Vapour Pressure: 1.54E-05 mmHg at 25 °C
Density of cis-N-((1,1,2,2-Tetrachloroethyl)thio)-4-cyclohexene-1,2-dicarboximide (CAS NO.2939-80-2): 1.64 g/cm3
Canonical SMILES: C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl
InChI: InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
InChIKey: JHRWWRDRBPCWTF-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

cyt-ipr-rat 50 mg/kg

     EJGCA9    Egyptian Journal of Genetics and Cytology. 11 (1982),97.
2.    

orl-rat LD50:5 g/kg

     FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C59.
3.    

skn-rbt LD50:>15,400 mg/kg

     PEMNDP    Pesticide Manual. 9 (1991),117.

Consensus Reports

EPA FIFRA 1988 pesticide subject to registration or re-registration.

Safety Profile

Low toxicity by ingestion and skin contact. Mutation data reported. When heated to decomposition, cis-N-((1,1,2,2-Tetrachloroethyl)thio)-4-cyclohexene-1,2-dicarboximide (CAS NO.2939-80-2) emits toxic vapors of SOx, NOx, and Cl−.

Specification

 cis-N-((1,1,2,2-Tetrachloroethyl)thio)-4-cyclohexene-1,2-dicarboximide , its cas register number is 2939-80-2. It also can be called 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-, cis- ; Crisfolatan ; Mycodifol ; N-((1,1,2,2-etrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide ; Pillartan ; cis-3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione ; and cis-Captafol . Its classification code are Agricultural Chemical; Fungicide, bactericide, wood preservative and Mutation data.