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78-57-9

Basic Information
CAS No.: 78-57-9
Name: AZIDITHION
Article Data: 3
Molecular Structure:
Molecular Structure of 78-57-9 (AZIDITHION)
Formula: C6H12 N5 O2 P S2
Molecular Weight: 281.299
Synonyms: Phosphorodithioicacid, S-[(4,6-diamino-s-triazin-2-yl)methyl] O,O-dimethyl ester (8CI);2,4-Diamino-6-dimethoxyphosphinothionylthiomethyl-s-triazine; Azidithion;Menazon; O,O-Dimethyl S-(4,6-diamino-1,3,5-triazin-2-yl)methylphosphorothiolothionate; O,O-DimethylS-(4,6-diamino-s-triazin-2-ylmethyl)phosphorodithioate; PP.175; R 15,175;S-(4,6-Diamino-1,3,5-triazin-2-ylmethyl) O,O-dimethyl phosphorodithioate;S-(4,6-Diamino-1,3,5-triazin-2-ylmethyl) dimethyl phosphorothiolothionate;S-[(4,6-Diamino-s-triazin-2-yl)methyl]-O,O-dimethyl phosphorodithioate;S-[(4,6-Diamino-s-triazine-2-yl)methyl] O,O-dimethyl phosphorodithioate;Sayfos; Sayphos
Density: 1.548g/cm3
Melting Point: 160-162(部分分解)oC
Boiling Point: 503.2oC at 760 mmHg
Flash Point: 258.1°C
Solubility: 0.24g/L(20 oC)
Hazard Symbols: Highly toxic, cholinesterase inhibitor.
Risk Codes: R22; R52/53
Safety: Moderately toxic by ingestion and possibly other routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.
PSA: 161.35000
LogP: 1.83250
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Chemistry

Chemistry informtion about Azidithion(CAS NO.78-57-9) is:
IUPAC Name:  6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
Synonyms: Azidithion ; Menazon ; 2,4-Diamino-6-Dimethoxyphosphinothionylthiomethyl-S-Triazine ; 2-Dimethoxyphosphinothioylthiomethyl-4,6-Diamino-S-Triazine ; 4,6-Diamino-1,3,5-Triazin-2-Ylmethylo,O-Dimethylphosphorodithioate ; Dithiophosphatedeo,O-Dimethyleetdes-((4,6-Diamino-1,3,5-Triazine-2-Yl)-M ; Dithiophosphatedeo,O-Dimethyleetdes-(4,6-Diamino-1,3,5-Triazine-2-Yl)-Meth ; Ent25,760
MF: C6H12N5O3PS
MW: 265.23
EINECS: 201-123-4 
Density: 1.548 g/cm3
Flash Point: 258.1 °C
Enthalpy of Vaporization: 77.24 kJ/mol
Boiling Point: 503.2 °C at 760 mmHg
Vapour Pressure: 2.98E-10 mmHg at 25°C
Following is the molecular structure of Azidithion(CAS NO.78-57-9) is:

Production

Raw materials: Sodium hydroxide-->Ethyl chloroacetate-->Pivaloyl chloride-->Dimethylcarbamoyl chloride -->N-Aminothiourea

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 487mg/kg (487mg/kg) behavioral: convulsions or effect on seizure threshold Toxicology and Applied Pharmacology. Vol. 7, Pg. 606, 1965.
mammal (species unspecified) LD50 unreported 900mg/kg (900mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 373, 1971.
mouse LD50 oral 427mg/kg (427mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 48, 1978.
rabbit LD50 skin > 800mg/kg (800mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 48, 1978.
rat LD50 oral 890mg/kg (890mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 14, 1966.
rat LD50 skin > 2gm/kg (2000mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 515, 1969.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Moderately toxic by ingestion and possibly other routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx
Hazard Codes:
HarmfulXn
Risk Statements:
R22:Harmful if swallowed. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements:
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

Specification

Descriptors Computed from Structure about Azidithion(CAS NO.78-57-9) is:
Canonical SMILES: COP(=S)(OC)SCC1=NC(=NC(=N1)N)N
InChI: InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKey: SUYHYHLFUHHVJQ-UHFFFAOYSA-N