Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester

Base Information

• Chemical Name: Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester
• CAS No.: 89-37-2
• Molecular Formula: C9H9N3O4S2
• Molecular Weight: 287.32
• European Community (EC) Number: 201-902-9
• NSC Number: 11461
• UNII: YSU5XGX97F
• DSSTox Substance ID: DTXSID0058986
• Nikkaji Number: J42.888D
• Wikidata: Q81988632
• Mol file: 89-37-2.mol

Synonyms:89-37-2;USAF SN-31;2,4-Dinitrophenyl dimethyldithiocarbamate;Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester;(2,4-dinitrophenyl) N,N-dimethylcarbamodithioate;2,4-Dinitrophenyl-dimethyl-dithiocarbamate;EINECS 201-902-9;NSC 11461;YSU5XGX97F;BRN 2475355;AI3-28653;NSC-11461;CARBAMIC ACID, DIMETHYLDITHIO-, 2,4-DINITROPHENYL ESTER;Carbamodithioic acid, N,N-dimethyl-, 2,4-dinitrophenyl ester;UNII-YSU5XGX97F;Dimethyldithiocarbamic acid, 2,4-dinitrophenyl ester;DTXSID0058986;SCHEMBL11760073;WLN: WNR CNW DSYUS&N1&1;NSC11461;C9-H9-N3-O4-S2;2,4-dinitrophenyldimethyldithiocarbamat;AKOS024383899;LS-49527;Carbamodithioic acid, 2,4-dinitrophenyl ester;Dimethyldithiocarbamic acid 2,4-dinitrophenyl ester

Chemical Property of Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester

Chemical Property:

• Vapor Pressure: 3.7E-07mmHg at 25°C
• Boiling Point: 416.9°C at 760 mmHg
• Flash Point: 205.9°C
• Density: 1.52g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 287.00344812
• Heavy Atom Count: 18
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester

There total 2 articles about Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester 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:

Oxo-phenylamino-acetyl azide + 1-chloro-2,4-dinitro-benzene (97-00-7) → dimethyl-dithiocarbamic acid-(2,4-dinitro-phenyl ester) (89-37-2)

Guidance literature:

With ethanol;

Reference yield:

→ dimethyl-dithiocarbamic acid-(2,4-dinitro-phenyl ester) (89-37-2)

Guidance literature:

2,4-Dinitro-1-chlor-benzol, Na-N,N-Dimethyl-dithiocarbamat, nach C. <1929> II 2937;

DOI:10.1248/yakushi1947.88.2_227

Reference yield:

dimethyl-dithiocarbamic acid-(2,4-dinitro-phenyl ester) (89-37-2) → 5-nitro-2-mercaptobenzothiazole (58759-63-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Fe/HAc / 0.17 h / Heating

2: halfconc. HCl / Heating

With hydrogenchloride; iron; acetic acid;

upstream raw materials:

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

5-nitro-2-mercaptobenzothiazole

Refernces