2-Amino-3,5-dinitrothiophene

Base Information

• Chemical Name: 2-Amino-3,5-dinitrothiophene
• CAS No.: 2045-70-7
• Molecular Formula: C4H3N3O4S
• Molecular Weight: 189.152
• Hs Code.: 2934999090
• European Community (EC) Number: 218-065-0
• DSSTox Substance ID: DTXSID1062128
• Nikkaji Number: J298.665E
• Wikidata: Q72436421
• Mol file: 2045-70-7.mol

Synonyms:2-Amino-3,5-dinitrothiophene;2045-70-7;3,5-dinitrothiophen-2-amine;2-Thiophenamine, 3,5-dinitro-;2,5-Dinitrothiophen-2-amine;2-Amino-3,5-dinitro thiophene;EINECS 218-065-0;3,5-Dinitro-2-aminothiophene;C4H3N3O4S;3,5-Dinitro-2-thiophenamine;BIDD:GT0433;SCHEMBL217092;DTXSID1062128;C4-H3-N3-O4-S;Thiophene, 2-amino-3,5-dinitro-;MFCD00100126;2-Amino-3,5-dinitrothiophene, 95%;AKOS005081588;AC-11329;FT-0633998;12W-0934;W-107619

Chemical Property of 2-Amino-3,5-dinitrothiophene

Chemical Property:

• Appearance/Colour: Vaseline powder
• Vapor Pressure: 2.49E-07mmHg at 25°C
• Melting Point: 174-176 °C(lit.)
• Refractive Index: 1.732
• Boiling Point: 422 °C at 760 mmHg
• Flash Point: 209 °C
• PSA: 145.90000
• Density: 1.803 g/cm³
• LogP: 2.77430
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 188.98442676
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-3,5-dinitrothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(SC(=C1[N+](=O)[O-])N)[N+](=O)[O-]
• Uses: 2-Amino-3,5-dinitrothiophene is used in preparation of high-dye-uptake-rate disperse dye compound for hydrophobic fiber and fabric dyeing.

Technology Process of 2-Amino-3,5-dinitrothiophene

There total 2 articles about 2-Amino-3,5-dinitrothiophene 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: 53.0%

2-acetamido-3,5-dinitrothiophene (51249-08-2) → 3,5-dinitro-2-amino thiophene (2045-70-7)

Guidance literature:

With sulfuric acid; water; at 100 ℃; for 4h;

DOI:10.1039/a904945b

Reference yield:

→ 3,5-dinitro-2-amino thiophene (2045-70-7)

Guidance literature:

aus Verb. 9c, Erh.;

Reference yield: 95.47%

3,5-dinitro-2-amino thiophene (2045-70-7) + butane-1,4-diyl bis(ethyl(phenyl)carbamate) → C32H32N10O12S2

Guidance literature:

3,5-dinitro-2-amino thiophene; With nitrosylsulfuric acid; sulfuric acid; at 20 ℃;

butane-1,4-diyl bis(ethyl(phenyl)carbamate); In ethanol; at 0 - 15 ℃; for 4h;

DOI:10.1016/j.dyepig.2021.109761

upstream raw materials:

2-acetamido-3,5-dinitrothiophene

Downstream raw materials:

2-acetamido-3,5-dinitrothiophene

2,4-dinitrothiophene

cyanomethyl 4-[5-diethylamino-2-(3,5-dinitrothiophen-2-ylazo)phenylcarbamoyl]butyrate

C₁₉H₁₉N₅O₇S

Refernces