5-(2,3-Dichlorophenyl)-1H-tetrazole

Base Information

• Chemical Name: 5-(2,3-Dichlorophenyl)-1H-tetrazole
• CAS No.: 175205-12-6
• Molecular Formula: C7H4 Cl2 N4
• Molecular Weight: 215.042
• Hs Code.: 2933998090
• European Community (EC) Number: 681-386-3
• DSSTox Substance ID: DTXSID90405606
• Wikidata: Q82210235
• Mol file: 175205-12-6.mol

Synonyms:5-(2,3-Dichlorophenyl)-1H-tetrazole;175205-12-6;5-(2,3-dichlorophenyl)-2H-tetrazole;5-(2,3-Dichlorophenyl)Tetrazole;C7H4Cl2N4;2H-Tetrazole, 5-(2,3-dichlorophenyl)-;Maybridge1_006937;2H-Tetrazole,5-(2,3-dichlorophenyl)-;5-(2,3-dichlorophenyl)-1H-1,2,3,4-tetrazole;SCHEMBL1200471;SCHEMBL13113376;HMS561D07;DTXSID90405606;OICQEAMHYWSULT-UHFFFAOYSA-N;AC8084;MFCD00068096;MFCD04035663;AKOS005207300;MS-9473;5-(2,3-dichlorophenyl)-1H-tetraazole;5-(2,3-dichloro-phenyl)-1H-tetrazole;SY038810;CS-0328513;FT-0619563;5-(2,3-dichlorophenyl)-2H-1,2,3,4-tetrazole;A811931

Chemical Property of 5-(2,3-Dichlorophenyl)-1H-tetrazole

Chemical Property:

• Vapor Pressure: 7.09E-07mmHg at 25°C
• Melting Point: 180-182oC
• Boiling Point: 408.3°Cat760mmHg
• Flash Point: 233.1°C
• PSA: 54.46000
• Density: 1.574g/cm³
• LogP: 2.17350
• Water Solubility.: Soluble in water 0.026 g/L (25°C).
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.9813015
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99.3% ^*data from raw suppliers

5-(2,3-Dichlorophenyl)-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NNN=N2
• Uses: It is used as an active pharmaceutical intermediate.

Technology Process of 5-(2,3-Dichlorophenyl)-1H-tetrazole

There total 1 articles about 5-(2,3-Dichlorophenyl)-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: 80.0%

2,3-dichlorobenzonitrile (6574-97-6) → 5-(2,3-dichlorophenyl)-1H-tetrazole (175205-12-6)

Guidance literature:

With sodium azide; triethylamine hydrochloride;

DOI:10.1016/j.bmc.2017.07.046

Reference yield: 85.0%

5-(2,3-dichlorophenyl)-1H-tetrazole (175205-12-6) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropyl)-5-(2,3-dichlorophenyl)-1H-tetrazole

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

DOI:10.1016/j.bmc.2017.07.046

Reference yield: 80.0%

5-(2,3-dichlorophenyl)-1H-tetrazole (175205-12-6) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-chloroethyl)-5-(2,3-dichlorophenyl)-1H-tetrazole

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

DOI:10.1016/j.bmc.2017.07.046

upstream raw materials:

2,3-dichlorobenzonitrile

Downstream raw materials:

3-{[5-(2,3-dichlorophenyl)-1H-tetraazol-1-yl]methyl}-2-methyl-pyridine

Refernces

• 1、 -. "P2X7 receptor antagonists and methods of use". Page/Page column 15. . Retrieved 2010/11/27.