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Basic Information
CAS No.: 147-84-2
Name: DIETHANOL-DITHIOCARBAMATE
Molecular Structure:
Molecular Structure of 147-84-2 (DIETHANOL-DITHIOCARBAMATE)
Formula: C5H11 N S2
Molecular Weight: 149.281
Synonyms: Carbamicacid, diethyldithio- (8CI); Carbamodithioic acid, diethyl- (9CI); DDC; DEDTC;DETCA; DIECA; Diethylcarbamodithioic acid; Diethyldithiocarbamic acid;Diethyldithione; N,N-Diethyldithiocarbamic acid; NSC 1720; NSC 36546; NSC 70082
Density: 1.079 (estimate)
Melting Point: 143-144 °C
Boiling Point: 176.4°C at 760 mmHg
Flash Point: 60.5°C
Safety: Moderately toxic by intravenous route. Mutation data reported. See also CARBAMATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 74.13000
LogP: 1.54290
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Chemistry

Product Name: Diethyldithiocarbamic acid (CAS NO.147-84-2)


Molecular Formula: C5H11NS2
Molecular Weight: 149.29g/mol
Mol File: 147-84-2.mol
Boiling point: 176.4 °C at 760 mmHg
Flash Point: 60.5 °C
Density: 1.086 g/cm3
Surface Tension: 44.6 dyne/cm
Enthalpy of Vaporization: 41.27 kJ/mol
Vapour Pressure: 1.1 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Diethyldithiocarbamic acid (CAS NO.147-84-2):
  IUPAC Name: diethylcarbamodithioic acid
  Canonical SMILES: CCN(CC)C(=S)S
  InChI: InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8) 
  InChIKey: LMBWSYZSUOEYSN-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1gm/kg (1000mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Pharmacologist. Vol. 3, Pg. 62, 1961.
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   CRC Critical Reviews in Toxicology. Vol. 20, Pg. 83, 1989.
mouse LD50 intravenous 1750mg/kg (1750mg/kg)   Pharmacologist. Vol. 3, Pg. 62, 1961.
rat LD50 intravenous 1250mg/kg (1250mg/kg)   Pharmacologist. Vol. 3, Pg. 62, 1961.
rat LD50 oral 1gm/kg (1000mg/kg)   CRC Critical Reviews in Toxicology. Vol. 20, Pg. 83, 1989.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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

Specification

 Diethyldithiocarbamic acid ,its CAS NO. is 147-84-2,the synonyms is Carbamodithioic acid, N,N-diethyl- ; Carbamodithioic acid, diethyl- ; 4-04-00-00389 (Beilstein Handbook Reference) ; BRN 1747741 ; CCRIS 7364 ; Diethyl dithiocarbamate ; Diethyldithione ; Ditiocarb ; EINECS 205-701-7 ; OPC-12759 ; UNII-99Z2744345 .