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Basic Information
CAS No.: 701-73-5
Name: Phenyldithiocarbamic acid methyl ester
Molecular Structure:
Molecular Structure of 701-73-5 (Phenyldithiocarbamic acid methyl ester)
Formula: C8H9NS2
Molecular Weight: 183.298
Synonyms: N-phenyl-S-methyldithiocarbamate;methyl phenylcarbamodithioate;CARBANILIC ACID,DITHIO-,METHYL ESTER;Carbamodithioic acid,phenyl-,methyl ester;PhNH-CS-SMe;S-methyl phenylthiocarbamate;Methyl dithiocarbanilate;Methyl phenyldithiocarbamate;Methyl N-phenyldithiocarbamate;
Density: 1.269g/cm3
Melting Point: 95.5°C
Boiling Point: 277.2°C at 760 mmHg
Flash Point: 121.5°C
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBAMATES.
PSA: 69.42000
LogP: 2.81940
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Chemistry

The Molecular Structure of Methyl dithiocarbanilate (CAS NO.701-73-5):
Molecular Formula: C8H9NS2
Molecular Weight: 183.293760 g/mol
IUPAC: methyl N-phenylcarbamodithioate 
Density: 1.269 g/cm3
Flash Point: 121.5 °C
Enthalpy of Vaporization: 51.58 kJ/mol
Boiling Point: 277.2 °C at 760 mmHg
Vapour Pressure: 0.00458 mmHg at 25°C
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.66
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 5.5): 61.65
ACD/BCF (pH 7.4): 61.63
ACD/KOC (pH 5.5): 665.01
ACD/KOC (pH 7.4): 664.88
Polar Surface Area: 60.63Å2
Index of Refraction: 1.699
Molar Refractivity: 55.78 cm3
Molar Volume: 144.3 cm3
Surface Tension: 60.8 dyne/cm

Toxicity Data With Reference

1.    

ivn-mus LD50:180 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04529 .

Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBAMATES.

Specification

 Methyl dithiocarbanilate (CAS NO.701-73-5) is also called as 4-12-00-00835 (Beilstein Handbook Reference) ; AI3-31472 ; BRN 2803060 ; ENT 31472 ; Methyl N-phenyldithiocarbamate ; Methyl phenylcarbamodithioate ; Methyl phenyldithiocarbamate ; NSC 57602 ; Carbamodithioic acid, phenyl-, methyl ester (9CI) ; Carbanilic acid, dithio-, methyl ester .