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Basic Information
CAS No.: 22941-83-9
Name: O,O-diethyl O-(4-{(1E)-N-[(methylcarbamoyl)oxy]ethanimidoyl}phenyl) phosphorothioate
Molecular Structure:
Molecular Structure of 22941-83-9 (O,O-diethyl O-(4-{(1E)-N-[(methylcarbamoyl)oxy]ethanimidoyl}phenyl) phosphorothioate)
Formula: C14H21 N2 O5 P S
Molecular Weight: 360.371
Synonyms: Phosphorothioicacid, O,O-diethyl ester, O-ester with 4'-hydroxyacetophenoneO-(methylcarbamoyl)oxime (8CI); Acetophenone, 4'-hydroxy-,O-(methylcarbamoyl)oxime, O-ester with O,O-diethyl phosphorothioate (8CI); R14805
Density: 1.25g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and POx.
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Chemistry

Empirical Formula of R 14805 (CAS NO.22941-83-9): C14H21N2O5PS
Molecular Weight: 360.3657 
Index of Refraction: 1.541
Density: 1.252 g/cm3
Structure of R 14805 (CAS NO.22941-83-9):
                         
IUPAC Name: [(E)-1-(4-Diethoxyphosphinothioyloxyphenyl)ethylideneamino]N-methylcarbamate
Canonical SMILES: CCOP(=S)(OCC)OC1=CC=C(C=C1)C(=NOC(=O)NC)C
Isomeric SMILES: CCOP(=S)(OCC)OC1=CC=C(C=C1)/C(=N/OC(=O)NC)/C
InChI: InChI=1S/C14H21N2O5PS/c1-5-18-22(23,19-6-2)21-13-9-7-12(8-10-13)11(3)16-20-14(17)15-4/h7-10H,5-6H2,1-4H3,(H,15,17)/b16-11+
InChIKey: KQSSEPJKQFMIJH-LFIBNONCSA-N

Toxicity Data With Reference

1.    

orl-mus LD :>400 mg/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3681476 .

Safety Profile

Moderately toxic by ingestion. When heated to decomposition R 14805 (CAS NO.22941-83-9) emits toxic vapors of NOx, SOx, and POx.

Specification

 R 14805 , its cas register number is 22941-83-9. It also can be called Phosphorothioic acid, O,O-diethyl O-(4-(1-((((methylamino)carbonyl)oxy)imino)ethyl)phenyl) ester ; Acetophenone, 4'-hydroxy-, O-(methylcarbamoyl)oxime, O-ester with O,O-diethyl phosphorothioate ; and AI3-27542 .