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5840-95-9

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Basic Information
CAS No.: 5840-95-9
Name: ETHYL(2-MERCAPTOETHYL)CARBAMATES-ESTERWITHO,O-DIMETHY.
Molecular Structure:
Molecular Structure of 5840-95-9 (ETHYL(2-MERCAPTOETHYL)CARBAMATES-ESTERWITHO,O-DIMETHY.)
Formula: C7H16 N O4 P S2
Molecular Weight: 273.314
Synonyms: Carbamicacid, (2-mercaptoethyl)-, ethyl ester, S-ester with O,O-dimethylphosphorodithioate (7CI,8CI); Phosphorodithioic acid, O,O-dimethyl ester,S-ester with ethyl (2-mercaptoethyl)carbamate; R 3422; R 3422S
Density: 1.27g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx. See also CARBAMATES.
PSA: 127.48000
LogP: 2.83800
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Chemistry

IUPAC Name: ethyl N-(2-dimethoxyphosphinothioylsulfanylethyl)carbamate 
Empirical Formula: C7H16NO4PS2
Molecular Weight: 273.31g/mol 
Index of Refraction: 1.52
Molar Refractivity: 65.46 cm3
Molar Volume: 215 cm3
Polarizability: 25.95×10-24cm3
Surface Tension: 48.2 dyne/cm
Density: 1.27 g/cm3
Classification Code: Agricultural Chemical, Insecticide
Canonical SMILES: CCOC(=O)NCCSP(=S)(OC)OC
InChI: InChI=1S/C7H16NO4PS2/c1-4-12-7(9)8-5-6-15-13(14,10-2)11-3/h4-6H2,1-3H3,(H,8,9)
InChIKey: DVJRPESMHBHCED-UHFFFAOYSA-N
Structure of Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate (CAS NO.5840-95-9):

Toxicity Data With Reference

1.    

orl-rat LD50:108 mg/kg

     28ZEAL    Pesticide Index. 4 (1969),220.
2.    

orl-mus LDLo:470 mg/kg

     AECTCV    Archives of Environmental Contamination and Toxicology. 14 (1985),111.
3.    

orl-ckn LD50:255 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 7 (1965),606.

Safety Profile

Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx. See also CARBAMATES.

Specification

  Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate , its cas register number is 5840-95-9. It also can be called  BRN 1880160 Carbamic acid, (2-((diethoxyphosphinothioyl)thio)ethyl)-, ethyl ester ; Carbamic acid, (2-mercaptoethyl)-, ethyl ester, S-ester with O,O-dimethyl phosphorodithioate ; ENT 25,801 ; Ethyl (2-((diethoxyphosphinothioyl)thio)ethyl)carbamate ; Ethyl 3-methyoxy-2-oxa-4-thia-7-aza-3-phosphaoctan-8-oate 3-sulfide
 Ethyl-N-(2-(O,O-dimethylphosphorodithioyl)ethyl)carbamate ; R-3,422 ; R-3422-S ; S-(O,O-Dimethylphosphorodithioate) of N-(2-mercaptoethyl)ethylcarbamate ; Stauffer R-3442-S .