5-chloro-1,3-dimethyl-4-(2-phenyldiaz-1-enyl)-1H-pyrazole

Base Information

• Chemical Name: 5-chloro-1,3-dimethyl-4-(2-phenyldiaz-1-enyl)-1H-pyrazole
• CAS No.: 78431-21-7
• Molecular Formula: C11H11 Cl N4
• Molecular Weight: 234.68
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00380399
• Nikkaji Number: J267.447E
• Mol file: 78431-21-7.mol

Synonyms:78431-21-7;5-chloro-1,3-dimethyl-4-(2-phenyldiaz-1-enyl)-1H-pyrazole;(5-chloro-1,3-dimethylpyrazol-4-yl)-phenyldiazene;1H-Pyrazole,5-chloro-1,3-dimethyl-4-(2-phenyldiazenyl)-;DTXSID00380399;FT-0620204;5-Chloro-1,3-dimethyl-4-phenylazo-1H-pyrazole;5-Chloro-1,3-dimethyl-4-[(E)-phenyldiazenyl]-1H-pyrazole;5-chloro-1,3-dimethyl-4-(2-phenyldiazen-1-yl)-1H-pyrazole

Chemical Property of 5-chloro-1,3-dimethyl-4-(2-phenyldiaz-1-enyl)-1H-pyrazole

Chemical Property:

• Vapor Pressure: 1.01E-05mmHg at 25°C
• Melting Point: 44 °C
• Boiling Point: 382.9°C at 760 mmHg
• Flash Point: 185.3°C
• PSA: 42.54000
• Density: 1.26g/cm³
• LogP: 3.79730
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.0672241
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

5-CHLORO-1,3-DIMETHYL-4-(2-PHENYLDIAZ-1-ENYL)-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1N=NC2=CC=CC=C2)Cl)C

Technology Process of 5-chloro-1,3-dimethyl-4-(2-phenyldiaz-1-enyl)-1H-pyrazole

There total 3 articles about 5-chloro-1,3-dimethyl-4-(2-phenyldiaz-1-enyl)-1H-pyrazole 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: 83.0%

1,3-dimethyl-5-oxo-4-phenyldiazenyl-1,2-diazacyclopent-3-ene (78431-20-6) → 5-chloro-1,3-dimethyl-4-phenyldiazenyl-1,2-diazacyclopenta-2,4-diene (78431-21-7)

Guidance literature:

With trichlorophosphate; at 100 - 105 ℃; for 3h;

Reference yield:

1,3-dimethylpyrazol-5-one (3201-29-4) → 5-chloro-1,3-dimethyl-4-phenyldiazenyl-1,2-diazacyclopenta-2,4-diene (78431-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NaOH

2: 83 percent / POCl₃ / 3 h / 100 - 105 °C

With sodium hydroxide; trichlorophosphate;

Reference yield:

benzene diazonium chloride (100-34-5) → 5-chloro-1,3-dimethyl-4-phenyldiazenyl-1,2-diazacyclopenta-2,4-diene (78431-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NaOH

2: 83 percent / POCl₃ / 3 h / 100 - 105 °C

With sodium hydroxide; trichlorophosphate;

upstream raw materials:

1,3-dimethyl-5-oxo-4-phenyldiazenyl-1,2-diazacyclopent-3-ene

1,3-dimethylpyrazol-5-one

benzene diazonium chloride

Downstream raw materials:

1,3-dimethyl-5-methylthio-4-phenyldiazenyl-1,2-diazacyclopenta-2,4-diene

methyl-azothiopyrine (1,3-dimethyl-5-mercapto-4-phenyldiazenyl-1,2-diazacyclopenta-2,4-diene)

Refernces