5-Nitro-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: 5-Nitro-1,3-benzothiazol-2-amine
• CAS No.: 73458-39-6
• Molecular Formula: C7H5 N3 O2 S
• Molecular Weight: 195.202
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID70373051
• Nikkaji Number: J3.126.763C
• Wikidata: Q72439989
• Mol file: 73458-39-6.mol

Synonyms:73458-39-6;5-nitrobenzo[d]thiazol-2-amine;5-nitro-1,3-benzothiazol-2-amine;2-amino-5-nitrobenzothiazole;5-Nitrobenzothiazol-2-ylamine;5-Nitro-benzothiazol-2-ylamine;2-Amino-5-nitrobenzothizole;2-Benzothiazolamine, 5-nitro-;SCHEMBL482233;DTXSID70373051;MFCD00160073;STK500607;AKOS000108123;CS-W019456;GS-3919;BB 0244240;EU-0017814;FT-0641460;A23686;EN300-109462;SR-01000513092;SR-01000513092-1;Z57127375

Chemical Property of 5-Nitro-1,3-benzothiazol-2-amine

Chemical Property:

• Vapor Pressure: 5.48E-07mmHg at 25°C
• Melting Point: 308-309 °C (decomp)
• Boiling Point: 411.7°C at 760 mmHg
• PKA: 2.22±0.10(Predicted)
• Flash Point: 202.8°C
• PSA: 112.97000
• Density: 1.621g/cm³
• LogP: 2.89110
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 195.01024758
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

5-Nitrobenzo[d]thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)N

Technology Process of 5-Nitro-1,3-benzothiazol-2-amine

There total 24 articles about 5-Nitro-1,3-benzothiazol-2-amine 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: 97.0%

1-acetyl-3-(2-fluoro-5-nitrophenyl)thiourea (341036-35-9) → 5-nitro-benzothiazol-2-ylamine (73458-39-6)

Guidance literature:

With sodium ethanolate; calcium chloride; In methanol; at 20 ℃;

DOI:10.1002/poc.351

Reference yield: 87.0%

potassium thioacyanate (333-20-0) + 3-nitro-aniline (99-09-2) → 5-nitro-benzothiazol-2-ylamine (73458-39-6)

Guidance literature:

potassium thioacyanate; 3-nitro-aniline; With nano-BF₃/SiO₂; In acetonitrile; for 0.5h; Cooling with ice;

With bromine; In acetonitrile; at 0 - 20 ℃; for 5h;

DOI:10.1007/s11164-016-2566-z

Reference yield: 86.0%

1-benzoyl-3-(2-fluoro-5-nitrophenyl)thiourea (333741-82-5) → 5-nitro-benzothiazol-2-ylamine (73458-39-6)

Guidance literature:

With methanol; sodium methylate; at 20 ℃; for 17h;

upstream raw materials:

5-nitrobenzothiazole

2,4-dinitro-phenyl thiocyanate

3-nitrophenylthiourea

2-chloro-5-nitrophenylthiourea

Downstream raw materials:

C₂₃H₁₇N₃O₃S

(E)-3-(5-nitrobenzo[d]thiazol-2-yl)-2-styryl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

2-bromo-5-nitrobenzo[d]thiazole

N-(5-nitrobenzo[d]thiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide