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

Base Information

• Chemical Name: 5-(3,5-Dichlorophenyl)-1H-tetrazole
• CAS No.: 92712-49-7
• Molecular Formula: C7H4 Cl2 N4
• Molecular Weight: 215.042
• DSSTox Substance ID: DTXSID001293365
• Wikidata: Q106902790
• Mol file: 92712-49-7.mol

Synonyms:5-(3,5-dichlorophenyl)-2H-tetrazole;92712-49-7;5-(3,5-DICHLOROPHENYL)-1H-TETRAZOLE;SCHEMBL705727;SCHEMBL13113073;DTXSID001293365;AC7799;MFCD00276760;SY038816;FT-0619620;A925936

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

Chemical Property:

• Vapor Pressure: 6.15E-07mmHg at 25°C
• Melting Point: 205-208°C
• Refractive Index: 1.641
• Boiling Point: 410.2°Cat760mmHg
• PKA: 3.55±0.10(Predicted)
• Flash Point: 234.3°C
• PSA: 54.46000
• Density: 1.574g/cm³
• LogP: 2.17350
• 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: 170

Purity/Quality:

97% ^*data from raw suppliers

5-(3,5-DICHLOROPHENYL)-1H-TETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C2=NNN=N2

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

There total 1 articles about 5-(3,5-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:

3,5-dichlorobenzonitrile (6575-00-4) → 5-(3,5-Dichloro-phenyl)-2H-tetrazole (92712-49-7)

Guidance literature:

With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; at 100 - 110 ℃; for 18h;

DOI:10.1021/jm00386a019

Reference yield: 23.0%

2-chloro-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide + 5-(3,5-Dichloro-phenyl)-2H-tetrazole (92712-49-7) → N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)-2-(5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl)acetamide

Guidance literature:

With sodium ethanolate; In ethanol; at 90 ℃; for 2h; Microwave irradiation;

DOI:10.1016/j.bmcl.2019.01.027

Reference yield:

propargyl bromide (106-96-7) + 5-(3,5-Dichloro-phenyl)-2H-tetrazole (92712-49-7) → 5-(3,5-Dichloro-phenyl)-2-prop-2-ynyl-2H-tetrazole (92712-50-0)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 - 25 ℃; for 3h;

DOI:10.1021/jm00386a019

upstream raw materials:

3,5-dichlorobenzonitrile

Downstream raw materials:

5-(3,5-Dichloro-phenyl)-2-prop-2-ynyl-2H-tetrazole

5-(3,5-Dichloro-phenyl)-2-(3-iodo-prop-2-ynyl)-2H-tetrazole

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