Dimethyldithiocarbamic acid

Base Information

• Chemical Name: Dimethyldithiocarbamic acid
• CAS No.: 79-45-8
• Molecular Formula: C3H7 N S2
• Molecular Weight: 121.227
• European Community (EC) Number: 205-288-3
• ICSC Number: 0348
• UN Number: 2771,3077
• UNII: 2IMH4383Z4
• DSSTox Substance ID: DTXSID2043797
• Nikkaji Number: J56.152E
• Wikipedia: Zinc_bis(dimethyldithiocarbamate),Dimethyldithiocarbamate
• Wikidata: Q27156609
• ChEMBL ID: CHEMBL1208358
• Mol file: 79-45-8.mol

Synonyms:Dimethyldithiocarbamate

Chemical Property of Dimethyldithiocarbamic acid

Chemical Property:

• Vapor Pressure: 10.2mmHg at 25°C
• Boiling Point: 129.4°C at 760 mmHg
• Flash Point: 32°C
• PSA: 74.13000
• LogP: 0.76270
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 121.00199157
• Heavy Atom Count: 6
• Complexity: 59.8
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

DIMETHYLDITHIOCARBAMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Dithiocarbamates (Pesticide)
• Canonical SMILES: CN(C)C(=S)S
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes. The substance is irritating to the skin and respiratory tract.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. Tumours have been detected in experimental animals but may not be relevant to humans.

Technology Process of Dimethyldithiocarbamic acid

There total 1 articles about Dimethyldithiocarbamic 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:

dimethylammonium dimethyldithiocarbamate (598-64-1) → N,N-dimethyldithiocarbamic acid (79-45-8) + dimethyl amine (124-40-3)

Guidance literature:

at 25 ℃; Thermodynamic data; enthalpy of decomposition = 189.8 kJ*mol^-1;

DOI:10.1006/jcht.1995.0146

Reference yield: 100.0%

N,N-dimethyldithiocarbamic acid (79-45-8) + methyl iodide (74-88-4) → N,N,S-trimethyldithiocarbamate (3735-92-0)

Guidance literature:

In tetrahydrofuran; water; at 0 - 25 ℃;

DOI:10.1021/jm1011319

Reference yield: 99.8%

N,N-dimethyldithiocarbamic acid (79-45-8) → Thiram (137-26-8,93196-73-7)

Guidance literature:

With oxygen; In water; at 20 - 30 ℃; for 0.05h; under 3000.3 Torr; Time; Flow reactor;

upstream raw materials:

dimethylammonium dimethyldithiocarbamate

Downstream raw materials:

benzothiazole-2-dimethylaminodithioformate

dimethylthiocarbamoylsulfanyl-phenyl-acetic acid

carbon disulfide

dimethyl amine

Refernces