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29173-31-7

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Basic Information
CAS No.: 29173-31-7
Name: mecarphon
Molecular Structure:
Molecular Structure of 29173-31-7 (mecarphon)
Formula: C7H14 N O4 P S2
Molecular Weight: 271.298
Synonyms: 2-Oxa-4-thia-7-aza-3-phosphaoctan-8-oicacid, 3,7-dimethyl-6-oxo-, methyl ester, 3-sulfide (9CI); Carbamic acid,(mercaptoacetyl)methyl-, methyl ester, S-ester with O-methylmethylphosphonodithioate (8CI); Phosphonodithioic acid, methyl-, O-methylester, S-ester with methyl (mercaptoacetyl)methylcarbamate (8CI); MC 2420; Mecarphon
Density: 1.327g/cm3
Boiling Point: 382.4°Cat760mmHg
Flash Point: 185.1°C
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 CARBAMATES.
PSA: 123.04000
LogP: 2.18070
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Chemistry

The Molecular Structure of Methyl (((methoxymethylphosphinothioyl)thio)acetyl)methylcarbamate (CAS NO.29173-31-7):
Molecular Formula: C7H14NO4PS2
Molecular Weight: 271.294121 g/mol
IUPAC: methyl N-[2-[methoxy(methyl)phosphinothioyl]sulfanylacetyl]-N-methylcarbamate 
Flash Point: 185.1 °C
Density: 1.327 g/cm3
Enthalpy of Vaporization: 63.08 kJ/mol
Boiling Point: 382.4 °C at 760 mmHg
Vapour Pressure: 4.72E-06 mmHg at 25°C
ACD/LogP: -0.45 
ACD/LogD (pH 5.5): -0.45
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 13.57
ACD/KOC (pH 7.4): 13.57
Polar Surface Area: 123.04Å2
Index of Refraction: 1.537
Molar Refractivity: 63.88 cm3
Molar Volume: 204.2 cm3 
Surface Tension: 52.5 dyne/cm 

Toxicity Data With Reference

1.    

orl-rat LD50:57 mg/kg

     GUCHAZ    Guide to the Chemicals Used in Crop Protection 6 (1973),324.
2.    

skn-rat LD50:720 mg/kg

     FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1980,D191.

Safety Profile

Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx. See also CARBAMATES.

Specification

 Methyl (((methoxymethylphosphinothioyl)thio)acetyl)methylcarbamate (CAS NO.29173-31-7) is also called as 2-Oxa-4-thia-7-aza-3-phosphaoctan-8-oic acid, 3,7-dimethyl-6-oxo-, methyl ester, 3-sulfide ;  AI3-27723 ; BRN 1975896 ; Caswell No. 549E ; EINECS 249-487-3 ; EPA Pesticide Chemical Code 549600 ; MC 2420 ; Mecarphon ; Mecarphos ; Mercarphon ; Mercarphon [ISO] ; S-((Methoxycarbonyl)methylcarbamoyl)methyl O-methyl methylphosphonodithioate ; S-(N-Methoxycarbonyl-N-methylcarbamoylmethyl)dimethyl phosphonothiolothionate ; Carbamic acid, (((methoxymethylphosphinothioyl)thio)acetyl)methyl-, methyl ester ; Phosphonodithioic acid, methyl-, S-((N-methoxycarbonyl)-N-methylcarbamoyl) methyl O-methyl ester .