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2703-13-1

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Basic Information
CAS No.: 2703-13-1
Name: ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-phosphorane
Molecular Structure:
Molecular Structure of 2703-13-1 (ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-phosphorane)
Formula: C10H15 O2 P S2
Molecular Weight: 262.334
Synonyms: Phosphonothioicacid, methyl-, O-ethyl O-[p-(methylthio)phenyl] ester (6CI,7CI,8CI); BAY 29952;Bayer 29,952; ENT 25,612
Density: 1.21g/cm3
Boiling Point: 334.2°Cat760mmHg
Flash Point: 155.9°C
Safety: Deadly poison by ingestion. When heated to decomposition it emits toxic fumes of POx and SOx. See also ESTERS.
PSA: 85.66000
LogP: 4.41370
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  • ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-phosphorane

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    ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-phosphorane

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Chemistry

Molecule structure of Methylphosphonothioic acid-o-ethyl o-(p-(methylthio)phenyl)ester (CAS NO.2703-13-1) :

IUPAC Name: ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane 
Molecular Weight: 262.328661 g/mol
Molecular Formula: C10H15O2PS2 
Density: 1.21 g/cm3 
Boiling Point: 334.2 °C at 760 mmHg 
Flash Point: 155.9 °C
Index of Refraction: 1.566
Molar Refractivity: 70.49 cm3
Molar Volume: 216.1 cm3
Polarizability: 27.94*10-24 cm3
Surface Tension: 47.7 dyne/cm 
Enthalpy of Vaporization: 55.42 kJ/mol
Vapour Pressure: 0.000253 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 262.025108
MonoIsotopic Mass: 262.025108
Topological Polar Surface Area: 18.5
Heavy Atom Count: 15
Complexity: 228
Canonical SMILES: CCOP(=S)(C)OC1=CC=C(C=C1)SC
InChI: InChI=1S/C10H15O2PS2/c1-4-11-13(2,14)12-9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3
InChIKey: LUCDVNXIIQYRLZ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LDLo:1 mg/kg

     ARSIM*    Agricultural Research Service, USDA Information Memorandum. 20 (1966),4.

Consensus Reports

EPA Extremely Hazardous Substances List.

Safety Profile

Deadly poison by ingestion. When heated to decomposition it emits toxic fumes of POx and SOx. See also ESTERS.
RIDADR: 3018
HazardClass: 6.1(a)
PackingGroup: II

Specification

 Methylphosphonothioic acid-o-ethyl o-(p-(methylthio)phenyl)ester (CAS NO.2703-13-1) is also called AI3-25612 ; BAY 29952 ; BRN 2216370 ; Bayer 29952 ; ENT 25,612 ; HSDB 6429 ; O-Ethyl O-(p-(methylthio)phenyl) methylphosphonothioate ; Phosphonothioic acid, methyl-, O-ethyl O-(p-(methylthio)phenyl) ester ; Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester ; Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester
(9CI) ; Phosphonothioic acid, methyl-, O-ethyl O-(p-(methylthio)phenyl) ester . Methylphosphonothioic acid-o-ethyl o-(p-(methylthio)phenyl)ester (CAS NO.2703-13-1) is liquid. Methylphosphonothioic acid-o-ethyl o-(p-(methylthio)phenyl)ester (CAS NO.2703-13-1) may react with strong reducing agents such as hydrides to give highly toxic and flammable phosphine gas. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.