2-Phenyl-2H-benzotriazole

Base Information

• Chemical Name: 2-Phenyl-2H-benzotriazole
• CAS No.: 1916-72-9
• Molecular Formula: C12H9 N3
• Molecular Weight: 195.224
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80172693
• Nikkaji Number: J1.113.362B
• Wikidata: Q69757914
• ChEMBL ID: CHEMBL1578171
• Mol file: 1916-72-9.mol

Synonyms:2-phenyl-2H-benzotriazole

Chemical Property of 2-Phenyl-2H-benzotriazole

Chemical Property:

• Vapor Pressure: 2.4E-05mmHg at 25°C
• Melting Point: 106.5-107.5 °C
• Boiling Point: 359.3°Cat760mmHg
• PKA: 1.20±0.30(Predicted)
• Flash Point: 171.1°C
• PSA: 30.71000
• Density: 1.21g/cm³
• LogP: 2.42050
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.079647300
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

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

2-Phenyl-2H-benzo[d][1,2,3]triazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2N=C3C=CC=CC3=N2

Technology Process of 2-Phenyl-2H-benzotriazole

There total 72 articles about 2-Phenyl-2H-benzotriazole 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: 95.0%

(E)-4-methyl-N-(2-(phenyldiazenyl)phenyl)benzenesulfonamide (1584667-72-0) → 2-phenyl-2H-1,2,3-benzotriazole (1916-72-9)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In toluene; at 40 ℃; for 22h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1021/ol501250t

Reference yield: 95.0%

(E)-1-(2-bromophenyl)-2-phenyldiazene (4103-29-1) → 2-phenyl-2H-1,2,3-benzotriazole (1916-72-9)

Guidance literature:

With copper(l) iodide; sodium azide; N,N,N,N,-tetramethylethylenediamine; cetyltrimethylammonim bromide; In water; at 130 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201303712

Reference yield: 89.0%

1-(2-nitrobenzene)-2-phenyldiazene (29530-39-0) → 2-phenyl-2H-1,2,3-benzotriazole (1916-72-9)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; sodium hydroxide; In methanol; at 33 - 37 ℃; for 0.005h; Electrolysis;

DOI:10.1002/chem.201905874

upstream raw materials:

2-phenyl-2H-benzo[d][1,2,3]triazol-5-amine

acetic acid

nitrobenzene

1,2-diamino-benzene

Downstream raw materials:

2-phenyl-4,5,6,7-tetrahydro-2H-benzo-1,2,3-triazole

2-(4-nitrophenyl)-2H-benzo[d][1,2,3]triazole

2-phenyl-1,2,3-triazole-4,5-dicarboxylic acid

dimethyl 2-phenyl-2H-1,2,3-triazole-4,5-dicarboxylate