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CAS No.: | 701-73-5 |
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Name: | Phenyldithiocarbamic acid methyl ester |
Article Data: | 17 |
Molecular Structure: | |
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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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
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 . |
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBAMATES.
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 .