Ethylenebisdithiocarbamic acid

Base Information

• Chemical Name: Ethylenebisdithiocarbamic acid
• CAS No.: 111-54-6
• Molecular Formula: C4H8 N2 S4
• Molecular Weight: 212.385
• Hs Code.: 2930909090
• European Community (EC) Number: 235-180-1,616-995-5
• ICSC Number: 0754
• UN Number: 3077,2771,2210,2992
• UNII: IO46B19O1Q
• DSSTox Substance ID: DTXSID5043972
• Nikkaji Number: J23.429J
• Wikipedia: Mancozeb
• Wikidata: Q27157364
• ChEMBL ID: CHEMBL1615644
• Mol file: 111-54-6.mol

Synonyms:ethylenebisdithiocarbamate manganese-zinc;mancozeb

Chemical Property of Ethylenebisdithiocarbamic acid

Chemical Property:

• Vapor Pressure: 0.000692mmHg at 25°C
• Boiling Point: 308.2°Cat760mmHg
• PKA: 1.25±0.20(Predicted)
• Flash Point: 140.2°C
• PSA: 165.84000
• Density: 1.413g/cm³
• LogP: 1.37680
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 211.95703296
• Heavy Atom Count: 10
• Complexity: 119
• Transport DOT Label: Class 9,Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Dithiocarbamates (Pesticide)
• Canonical SMILES: C(CNC(=S)S)NC(=S)S
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization.

Technology Process of Ethylenebisdithiocarbamic acid

There total 3 articles about Ethylenebisdithiocarbamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + ethylenediamine (107-15-3,85404-18-8) → N,N'-ethylenebis(dithiocarbamate) (111-54-6)

Guidance literature:

With sodium hydroxide;

Reference yield:

ethylenediamine (107-15-3,85404-18-8) → N,N'-ethylenebis(dithiocarbamate) (111-54-6)

Guidance literature:

With sodium hydroxide; at 30 - 35 ℃;

Reference yield:

→ N,N'-ethylenebis(dithiocarbamate) (111-54-6)

Guidance literature:

Ethylendiamin, Schwefelkohlenstoff;

DOI:10.1016/0022-1902(65)80241-X

upstream raw materials:

carbon disulfide

ethylenediamine

Downstream raw materials:

dimethyl N,N'-(ethylene)bisdithiocarbamate

carbon disulfide

ethylenediamine

N,N'-ethylenethiourea

Refernces

• 1、 Melendez, E.,Merchan, F. L.,Tejero, T.,Merino, P.,Garcia, M.. "SYNTHESIS OF 2,2'-(ALKYLENEDIAMINO)DIBENZAZOLES: NEW HETEROCYCLIC TETRADENTATE LIGANDS.". . p. 487 - 490. Retrieved 2007/10/02.