Benzo[d]thiazole-2,7-diamine

Base Information

• Chemical Name: Benzo[d]thiazole-2,7-diamine
• CAS No.: 100958-73-4
• Molecular Formula: C7H7N3S
• Molecular Weight: 165.219
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID10694737
• Wikidata: Q72462698
• Mol file: 100958-73-4.mol

Synonyms:Benzo[d]thiazole-2,7-diamine;100958-73-4;2,7-Benzothiazolediamine;1,3-benzothiazole-2,7-diamine;2,7-DIAMINOBENZOTHIAZOLE;2,7-Diamino-benzothiazole;SCHEMBL5260809;DTXSID10694737;Benzothiazole,2,7-diamino-(6CI);AKOS016007010;AC-25101;CS-0005511;FT-0725336;A904316

Chemical Property of Benzo[d]thiazole-2,7-diamine

Chemical Property:

• Boiling Point: 404.4 °C at 760 mmHg
• PKA: 5.66±0.30(Predicted)
• Flash Point: 198.4 °C
• PSA: 93.90000
• Density: 1.49 g/cm³
• LogP: 1.97200
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 165.03606841
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

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

Benzo[d]thiazole-2,7-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)N=C(S2)N)N

Technology Process of Benzo[d]thiazole-2,7-diamine

There total 4 articles about Benzo[d]thiazole-2,7-diamine 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: 66.0%

2-amino-6-nitrobenzothiazole (6285-57-0) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Guidance literature:

With iron; acetic acid; In ethanol; for 3h; Inert atmosphere; Reflux;

Reference yield:

7-nitrobenzo[d]thiazol-2-amine (89793-81-7) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

3-nitrophenylthiourea (709-72-8) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; chlorobenzene

2: SnCl₂; aqueous HCl

With hydrogenchloride; bromine; chlorobenzene; tin(ll) chloride;

upstream raw materials:

7-nitrobenzo[d]thiazol-2-amine

3-nitrophenylthiourea

3-nitroaniline hydrochloride

2-amino-6-nitrobenzothiazole

Refernces