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Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate

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Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate

EINECS
CAS No. 5840-95-9 Density 1.27g/cm3
PSA 127.48000 LogP 2.83800
Solubility Melting Point
Formula C7H16 N O4 P S2 Boiling Point °Cat760mmHg
Molecular Weight 273.33 Flash Point °C
Transport Information Appearance
Safety Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx. See also CARBAMATES. Risk Codes
Molecular Structure Molecular Structure of 5840-95-9 (2-Oxa-4-thia-7-aza-3-phosphaoctan-8-oicacid, 3-methoxy-, ethyl ester, 3-sulfide (9CI)) Hazard Symbols
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

 

Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate Chemical Properties

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):

Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate 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.

Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate Safety Profile

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

Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate 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 .

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