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14816-16-1

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Basic Information
CAS No.: 14816-16-1
Name: (2Z)-2-dimethoxyphosphinothioyloxyimino-2-phenyl-acetonitrile
Molecular Structure:
Molecular Structure of 14816-16-1 ((2Z)-2-dimethoxyphosphinothioyloxyimino-2-phenyl-acetonitrile)
Formula: C10H11 N2 O3 P S
Molecular Weight: 270.249
Synonyms: 2,4-Dioxa-5-aza-3-phosphahept-5-ene-7-nitrile,3-methoxy-6-phenyl-, 3-sulfide (9CI); Glyoxylonitrile, phenyl-, oxime,O,O-dimethyl phosphorothioate (8CI); BAY 7660; BAY-SRA 7660;Benzeneacetonitrile, a-[[(dimethoxyphosphinothioyl)oxy]imino]-; Methyl phoxim; Phoxim-methyl
Density: 1.26g/cm3
Boiling Point: 332.3°Cat760mmHg
Flash Point: 154.8°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.
PSA: 105.74000
LogP: 3.09878
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    Phosphorothioic acid,O-[(cyanophenylmethyl)azanyl] O,O-dimethyl ester

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Chemistry

Molecule structure of Methyl phoxim(CAS NO.14816-16-1) :

IUPAC Name: (E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide 
Molecular Weight: 270.244701 g/mol
Molecular Formula: C10H11N2O3PS 
Density: 1.26 g/cm3 
Boiling Point: 332.3 °C at 760 mmHg 
Flash Point: 154.8 °C
Index of Refraction: 1.559
Molar Refractivity: 69.02 cm3
Molar Volume: 213.4 cm3
Polarizability: 27.36×10-24 cm3
Surface Tension: 46 dyne/cm 
Enthalpy of Vaporization: 57.5 kJ/mol
Vapour Pressure: 0.000147 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 270.022799
MonoIsotopic Mass: 270.022799
Topological Polar Surface Area: 63.8
Heavy Atom Count: 17
Complexity: 363
Canonical SMILES: COP(=S)(OC)ON=C(C#N)C1=CC=CC=C1
Isomeric SMILES: COP(=S)(OC)O/N=C(/C#N)\C1=CC=CC=C1
InChI: InChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-
InChIKey of Methyl phoxim(CAS NO.14816-16-1) : QQVNWNVUGXNUJN-BENRWUELSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:>2 g/kg

     PCBPBS    Pesticide Biochemistry and Physiology. 1 (1971),44.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and POx.

Specification

 Methyl phoxim(CAS NO.14816-16-1) is also called 2,4-Dioxa-5-aza-3-phophahept-5-ene-7-nitrile, 3-methoxy-6-phenyl-, 3-sulfide ; AI3-29102 ; BAY 7660 ; BAY-SRA 7660 ; BRN 2987766 ; Benzeneacetonitrile, alpha-((dimethoxyphosphinothioyl)oxy)imino- ; Phoxim-methyl ; Glyoxylonitrile, phenyl-, oxime, O,O-dimethyl phosphorothioate .