4-Chloro-1-phenylpyrazole

Base Information

• Chemical Name: 4-Chloro-1-phenylpyrazole
• CAS No.: 6831-92-1
• Molecular Formula: C9H7ClN2
• Molecular Weight: 178.621
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70345011
• Nikkaji Number: J46.141E
• Wikidata: Q63398230
• Mol file: 6831-92-1.mol

Synonyms:4-Chloro-1-phenylpyrazole;6831-92-1;4-Chloro-1-phenyl-1H-pyrazole;1-Phenyl-4-chloropyrazole;Pyrazole, 4-chloro-1-phenyl-;1H-Pyrazole, 4-chloro-1-phenyl-;4-chloro-1-phenyl-pyrazole;SCHEMBL9804024;1-Phenyl-4-chloro-1H-pyrazole;DTXSID70345011;4-Chloro-1-phenyl-1H-pyrazole #;STK226172;AKOS003662314;4-Chloro-1-phenylpyrazole, AldrichCPR;BS-29325;FT-0719127;EN300-3477809;A836098;AG-613/31140063;Q63398230;Z57256629

Chemical Property of 4-Chloro-1-phenylpyrazole

Chemical Property:

• Vapor Pressure: 0.00909mmHg at 25°C
• Melting Point: 74-76 °C
• Refractive Index: 1.613
• Boiling Point: 274.4 °C at 760 mmHg
• PKA: -1.34±0.10(Predicted)
• Flash Point: 119.7 °C
• PSA: 17.82000
• Density: 1.23 g/cm³
• LogP: 2.52570
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-1-phenylpyrazole 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)N2C=C(C=N2)Cl

Technology Process of 4-Chloro-1-phenylpyrazole

There total 12 articles about 4-Chloro-1-phenylpyrazole 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: 99.0%

1-phenylpyrazole (1126-00-7) → 4-Chloro-1-phenyl-1H-pyrazole (6831-92-1)

Guidance literature:

With 1-chloro-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; In N,N-dimethyl-formamide; at 60 ℃; for 12h; regioselective reaction;

DOI:10.1021/acs.orglett.6b00547

Reference yield: 45.0%

4-chloro-1H-pyrazole (15878-00-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-Chloro-1-phenyl-1H-pyrazole (6831-92-1)

Guidance literature:

With C₂₄H₄₂N₃⁽¹⁺⁾*ClO₄^(1-); lithium perchlorate; acetic acid; In acetonitrile; at 20 ℃; for 60h; Electrochemical reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201906381

Reference yield:

→ 4-Chloro-1-phenyl-1H-pyrazole (6831-92-1)

Guidance literature:

With sodium hypochlorite;

upstream raw materials:

2-chloromalonaldehyde

phenylhydrazine hydrochloride

1-phenylpyrazole

α-chloro-β-anilinoacrylaldehyde anil

Refernces

• 1、 Targos, Karina,Williams, Oliver P.,Wickens, Zachary K.. "Unveiling Potent Photooxidation Behavior of Catalytic Photoreductants". supporting information. p. 4125 - 4132. Retrieved 2021/04/07.
• 2、 Liang, Yujie,Lin, Fengguirong,Adeli, Yeerlan,Jin, Rui,Jiao, Ning. "Efficient Electrocatalysis for the Preparation of (Hetero)aryl Chlorides and Vinyl Chloride with 1,2-Dichloroethane". supporting information. p. 4566 - 4570. Retrieved 2019/02/14.