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919-76-6

Basic Information
CAS No.: 919-76-6
Name: AMIDITHION
Molecular Structure:
Molecular Structure of 919-76-6 (AMIDITHION)
Formula: C7H16 N O4 P S2
Molecular Weight: 273.33
Synonyms: Phosphorodithioicacid, O,O-dimethyl ester, S-ester with 2-mercapto-N-(2-methoxyethyl)acetamide(7CI,8CI); Amidithion; CIBA thiocron; ENT 27,160; Medithionate; O,O-DimethylS-(2-methoxyethylcarbamoylmethyl)dithiophosphate; O,O-DimethylS-(2-methoxyethylcarbamoylmethyl)phosphorodithioate; Thiocron; Thiocron 30
Density: 1.27g/cm3
Melting Point: 25-26oC
Appearance: White crystalline powder
Hazard Symbols:
Risk Codes: 22
Safety: Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx. See also ESTERS.
PSA: 123.99000
LogP: 2.04100
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Chemistry

Molecule structure of Amidithion (CAS NO.919-76-6):

IUPAC Name: 2-Dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide 
Molecular Weight: 273.310001 g/mol
Molecular Formula: C7H16NO4PS2 
Density: 1.27 g/cm3
Index of Refraction: 1.52
Molar Refractivity: 65.46 cm3
Molar Volume: 215 cm3
Polarizability: 25.95×10-24 cm3
Surface Tension: 48.2 dyne/cm
XLogP3: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 273.025836
MonoIsotopic Mass: 273.025836
Topological Polar Surface Area: 56.8
Heavy Atom Count: 15
Complexity: 231
Canonical SMILES: COCCNC(=O)CSP(=S)(OC)OC
InChI: InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)
InChIKey: GDTZUQIYUMGJRT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:600 mg/kg

    WRPCA2    World Review of Pest Control. 9 (1970),119.
2.    

skn-rat LD50:1600 mg/kg

    28ZEAL    Pesticide Index. 5 (1976),9.
3.    

orl-ckn LD50:94 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 11 (1967),49.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 24-36 
S24:Avoid contact with skin. 
S36:Wear suitable protective clothing.
Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx. See also ESTERS.

Specification

 Amidithion (CAS NO.919-76-6) is also named as AI3-27160 ; Acetamide, 2-mercapto-N-(2-methoxyethyl)-, S-ester with O,O-dimethyl phosphorodithioate ; Amidiphos ; BRN 1972866 ; C 2446 ; Caswell No. 033 ; Ciba 2446 ; Ciba Thiocron ; ENT 27,160 ; EPA Pesticide Chemical Code 059601 ; Medithionat ; O,O-Dimethyl S-(2-methoxyethylcarbamoyl methyl)
phosphorodithioate ; O,O-Dimethyl phosphorodithioate, S-ester with 2-mercapto-N-(2-methoxyethyl)acetamide ; O,O-Dimethyl-S-(2-methoxyethylcarbamoylmethyl)dithiophosphate ; S-(((2-Methoxyethyl)carbamoyl)methyl) O,O-dimethyl
phosphorodithioate ; S-(2-((2-Methoxyethyl)amino-2-oxoethyl) O,O-dimethyl) phosphorodithioate ; S-(N-2-Methoxyethylcarbamoylmethyl)dimethyl phophorothiolothionate ; Thiocron ; Thiocron 30 . Amidithion (CAS NO.919-76-6) is highly toxic. It will produce toxic oxidation of phosphorus, sulfur dioxide, nitrogen oxide gas by heat. So the storage environment should be ventilate, low-temperature and dry. Keep Amidithion (CAS NO.919-76-6) separate from raw materials of food.