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41219-31-2
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Basic Information
CAS No.: 41219-31-2
Name: (6-chlorothiochroman-4-yl)sulfanyl-diethoxy-sulfanylidene-phosphorane
Molecular Structure:
Molecular Structure of 41219-31-2 ((6-chlorothiochroman-4-yl)sulfanyl-diethoxy-sulfanylidene-phosphorane)
Formula: C13H18 Cl O2 P S3
Molecular Weight: 368.91
Synonyms: 2H-1-Benzothiopyran,phosphorodithioic acid deriv.; Dithicrofos
Density: 1.35g/cm3
Boiling Point: 437.5°Cat760mmHg
Flash Point: 218.4°C
Hazard Symbols: A poison by ingestion.
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of POx, SOx, and Cl−.
PSA: 110.96000
LogP: 6.55820
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    (6-chlorothiochroman-4-yl)sulfanyl-diethoxy-sulfanylidene-phosphorane

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Chemistry

IUPAC Name: (6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane 
Empirical Formula: C13H18ClO2PS3
Molecular Weight: 368.9026g/mol
Structure of 6-Chloro-4-thiochromanyl-O,O-diethyl dithiophosphate (CAS NO.41219-31-2):

Index of Refraction: 1.617
Molar Refractivity: 95.17 cm3
Molar Volume: 271.7 cm3
Polarizability: 37.72×10-24cm3
Surface Tension: 56.8 dyne/cm
Density: 1.35 g/cm3
Flash Point: 218.4 °C
Enthalpy of Vaporization: 66.74 kJ/mol
Boiling Point: 437.5 °C at 760 mmHg
Vapour Pressure: 1.9E-07 mmHg at 25°C 
Classification Code: Acaricide, Agricultural Chemical, Insecticide, Nematocide 
Canonical SMILES: CCOP(=S)(OCC)SC1CCSC2=C1C=C(C=C2)Cl
InChI: InChI=1S/C13H18ClO2PS3/c1-3-15-17(18,16-4-2)20-13-7-8-19-12-6-5-10(14)9-11(12)13/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKey: QNZZKGBRJAVCIQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:63 mg/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3883552 .

Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of POx, SOx, and Cl−.

Specification

  6-Chloro-4-thiochromanyl-O,O-diethyl dithiophosphate , its cas register number is 41219-31-2. It also can be called 
 Dithicrofos ; S-(6-Chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl) O,O-diethyl phosphorodithioate ; Dithicrofos [ISO] . When 6-Chloro-4-thiochromanyl-O,O-diethyl dithiophosphate (CAS NO.41219-31-2) is heated to decomposition it emits toxic vapors of POx, SOx, and Cl−.