2,1,3-Benzothiadiazol-5-amine

Base Information

• Chemical Name: 2,1,3-Benzothiadiazol-5-amine
• CAS No.: 874-37-3
• Molecular Formula: C6H5N3S
• Molecular Weight: 151.192
• Hs Code.: 2934999090
• Mol file: 874-37-3.mol

Synonyms:2,1,3-Benzothiadiazole,5-amino- (6CI,7CI,8CI);(2,1,3-Benzothiadiazol-5-yl)amine;2,1,3-Benzothiadiazol-2-SIV-5-amine;5-Amino-2,1,3-benzothiadiazole;5-Amino-benzo[1,2,5]thiadiazole;NSC 231627;

Chemical Property of 2,1,3-Benzothiadiazol-5-amine

Chemical Property:

• Vapor Pressure: 0.000955mmHg at 25°C
• Melting Point: 112-115°C
• Refractive Index: 1.785
• Boiling Point: 303 °C at 760 mmHg
• PKA: 1.75±0.47(Predicted)
• Flash Point: 137.1 °C
• PSA: 80.04000
• Density: 1.485g/cm³
• LogP: 1.85470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

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

2,1,3-Benzothiadiazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

Technology Process of 2,1,3-Benzothiadiazol-5-amine

There total 5 articles about 2,1,3-Benzothiadiazol-5-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%

5-acetamidobenzo-2,1,3-thiadiazole (21110-91-8) → benzo[1,2,5]thiadiazol-5-ylamine (874-37-3)

Guidance literature:

With hydrogenchloride; In water; for 0.333333h; Heating;

DOI:10.1007/BF00472265

Reference yield: 90.3%

5-nitro-2,1,3-benzothiadiazole (16252-88-3) → benzo[1,2,5]thiadiazol-5-ylamine (874-37-3)

Guidance literature:

5-nitro-2,1,3-benzothiadiazole; With ammonium chloride; In ethanol; water; at 90 ℃; for 0.5h;

With iron; In ethanol; water; for 3h; Reflux;

Reference yield:

4-Nitrophenylene-1,2-diamine (99-56-9) → benzo[1,2,5]thiadiazol-5-ylamine (874-37-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / SOCl₂, conc. H₂SO₄ / 0.5 h / Heating

2: 67 percent / Fe / ethanol / 0.5 h / Heating

3: 97 percent / conc. hydrochloric acid / H₂O / 0.33 h / Heating

With hydrogenchloride; thionyl chloride; sulfuric acid; iron; In ethanol; water;

DOI:10.1007/BF00472265

upstream raw materials:

5-nitro-2,1,3-benzothiadiazole

benzo[1,2,5]thiadiazole

benzo[1,2,5]thiadiazol-5-ol

5-acetamidobenzo-2,1,3-thiadiazole

Downstream raw materials:

6-chloro-benzo[1,2,5]thiadiazol-5-ylamine

benzo[1,2,5]thiadiazole-4,5-diamine

5-amino-4-nitrobenzo[1,2,5]thiadiazole

benzo[1,2,5]thiadiazol-5-ol

Refernces

• 1、 -. "Benzothiadiazole compound and preparation method and use thereof". Paragraph 0142; 0143; 0145. . Retrieved 2018/09/08.
• 2、 -. "Pyrazole compounds". . . Retrieved 2008/06/13.