5-(4-Fluorophenyl)-1H-tetrazole

Base Information

• Chemical Name: 5-(4-Fluorophenyl)-1H-tetrazole
• CAS No.: 50907-21-6
• Molecular Formula: C7H5FN4
• Molecular Weight: 164.142
• Hs Code.: 2933998090
• European Community (EC) Number: 625-874-6
• DSSTox Substance ID: DTXSID20354193
• Nikkaji Number: J1.544.791E
• Wikidata: Q82132202
• Mol file: 50907-21-6.mol

Synonyms:50907-21-6;5-(4-Fluorophenyl)-1H-tetrazole;5-(4-fluorophenyl)-2H-tetrazole;5-(4-FLUORO-PHENYL)-2H-TETRAZOLE;5-(4-fluorophenyl)-1H-1,2,3,4-tetrazole;4-fluorophenyl tetrazole;Cambridge id 5612113;5-(4-fluorophenyl)tetrazole;SCHEMBL705663;DTXSID20354193;DTAOERLWDORJFR-UHFFFAOYSA-N;5-(4-fluorophenyl)-1H-tetraazole;CCG-2734;5-(4-Fluoro-phenyl)-1H-tetrazole;MFCD00478201;STL283125;AKOS000262559;AKOS000297179;AB27843;PS-6618;5-(4-Fluorophenyl)-1H-tetrazole, 95%;BB 0238412;CS-0309347;EU-0067442;FT-0619650;5-(4-fluorophenyl)-2H-1,2,3,4-tetrazole;EN300-17709;F21297;A828350

Chemical Property of 5-(4-Fluorophenyl)-1H-tetrazole

Chemical Property:

• Vapor Pressure: 0.000288mmHg at 25°C
• Melting Point: 210-212°C
• Refractive Index: 1.591
• Boiling Point: 322°Cat760mmHg
• PKA: 4.14±0.10(Predicted)
• Flash Point: 148.5°C
• PSA: 54.46000
• Density: 1.403g/cm³
• LogP: 1.00580
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 164.04982434
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

5-(4-Fluoro-phenyl)-2h-tetrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NNN=N2)F

Technology Process of 5-(4-Fluorophenyl)-1H-tetrazole

There total 12 articles about 5-(4-Fluorophenyl)-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: 98.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 5-(4-fluorophenyl)-2H-tetrazole (50907-21-6)

Guidance literature:

With trimethylsilylazide; di(n-butyl)tin oxide; In toluene; at 100 ℃; for 16.5h;

Reference yield: 97.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 5-(4-fluorophenyl)-1H-1,2,3,4-tetrazole (50907-21-6)

Guidance literature:

With sodium azide; C₃₂H₂₅ClCuN₆O₉; In dimethyl sulfoxide; at 110 ℃; for 5h; Reagent/catalyst;

DOI:10.1039/d0nj03081c

Reference yield: 94.0%

→ 5-(4-fluorophenyl)-1H-1,2,3,4-tetrazole (50907-21-6)

Guidance literature:

With sodium azide; NiO#Fe₂O₃; In N,N-dimethyl-formamide; at 100 ℃; for 8h; under 760.051 Torr; Autoclave;

upstream raw materials:

4-fluorobenzonitrile

4-fluoro-1-iodobenzene

(E)-4-fluorobenzaldehyde oxime

4-fluorobenzaldoxime

Downstream raw materials:

5-(4-fluorophenyl)-1-methyl-1H-tetrazole

5-(4′-fluorophenyl)-2-methyltetrazole

2-(1'-iodopropyn-3'-yl)-5-(p-fluorophenyl)tetrazole

5-(4-fluoro-3-nitrophenyl)-2-methyl-2H-tetrazole