5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole

Base Information

• Chemical Name: 5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole
• CAS No.: 82212-14-4
• Molecular Formula: C₇H₇ClN₆O₂S
• Molecular Weight: 274.691
• European Community (EC) Number: 279-922-2
• DSSTox Substance ID: DTXSID701002561
• Nikkaji Number: J320.381F
• Wikidata: Q82996760
• ChEMBL ID: CHEMBL1797008
• Mol file: 82212-14-4.mol

Synonyms:82212-14-4;5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole;2-Chloro-5-(1H-tetrazol-5-yl)sulphanilamide;4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide;4-amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide;EINECS 279-922-2;Benzenesulfonamide, 4-amino-2-chloro-5-(1H-tetrazol-5-yl)-;C7H7ClN6O2S;CHEMBL1797008;SCHEMBL11136729;C7-H7-Cl-N6-O2-S;AMY7378;DTXSID701002561;MFCD11870108;AKOS028109125;CS-0187055;D81031;5-(2-amino-4-chloro-5-sulfamoylphenyl)-tetrazole;EN300-18752189;4-AMINO-2-CHLORO-5(1H-TETRAZOL-5-YL)BENZENESULFONAMIDE;4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzene-1-sulfonamide;4-amino-2-chloro-5-(1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide

Chemical Property of 5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.691
• Boiling Point: 633.871 °C at 760 mmHg
• PKA: 3.40±0.10(Predicted)
• Flash Point: 337.153 °C
• PSA: 149.02000
• Density: 1.762 g/cm³
• LogP: 2.11200
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Dimethylformamide
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 274.0039724
• Heavy Atom Count: 17
• Complexity: 373

Purity/Quality:

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

5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C2=NNN=N2

Technology Process of 5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole

There total 3 articles about 5-(2-Amino-4-chloro-5-sulfamoylphenyl)-1H-tetrazole 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:

C7H5Cl2N5O2S → 5-(2-amino-4-chloro-5-sulphamoylphenyl)tetrazole (82212-14-4)

Guidance literature:

With ammonia; In ethyl acetate; at 15 - 35 ℃; for 1h;

Reference yield:

4-chloro-2-nitrobenzonitrile (34662-32-3) → 5-(2-amino-4-chloro-5-sulphamoylphenyl)tetrazole (82212-14-4)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium azide; triethylamine hydrochloride / toluene / 3 h / 65 - 70 °C

2: palladium 10% on activated carbon; hydrogen / 7500.75 Torr / Autoclave

3: chlorosulfonic acid / 2 h / 60 - 95 °C

4: ammonia / ethyl acetate / 1 h / 15 - 35 °C

With chlorosulfonic acid; sodium azide; palladium 10% on activated carbon; ammonia; hydrogen; triethylamine hydrochloride; In ethyl acetate; toluene;

Reference yield:

C7H4ClN5O2 (92567-02-7) → 5-(2-amino-4-chloro-5-sulphamoylphenyl)tetrazole (82212-14-4)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium 10% on activated carbon; hydrogen / 7500.75 Torr / Autoclave

2: chlorosulfonic acid / 2 h / 60 - 95 °C

3: ammonia / ethyl acetate / 1 h / 15 - 35 °C

With chlorosulfonic acid; palladium 10% on activated carbon; ammonia; hydrogen; In ethyl acetate;

upstream raw materials:

4-chloro-2-nitrobenzonitrile

C₇H₄ClN₅O₂

Refernces