5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride

Base Information

• Chemical Name: 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride
• CAS No.: 205113-77-5
• Molecular Formula: C11H9 Cl N2 O
• Molecular Weight: 220.658
• Hs Code.: 2933199090
• European Community (EC) Number: 673-117-3
• DSSTox Substance ID: DTXSID60380072
• Wikidata: Q82170105
• Mol file: 205113-77-5.mol

Synonyms:205113-77-5;5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride;5-methyl-1-phenylpyrazole-4-carbonyl chloride;SCHEMBL3517559;DTXSID60380072;VWZLNKSEPOXZKV-UHFFFAOYSA-N;MFCD02677692;AKOS023093101;BP-10878;5-methyl-1-phenyl-pyrazole-3-carbohydrazide;FT-0620592;A814624;5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride, AldrichCPR

Chemical Property of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Melting Point: 147oC
• Boiling Point: 333.4°C at 760 mmHg
• PKA: -2.90±0.10(Predicted)
• Flash Point: 155.4°C
• PSA: 34.89000
• Density: 1.26g/cm³
• LogP: 2.55970
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.0403406
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-1-phenyl-1H-pyrazole-4-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C:Corrosive
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)Cl

Technology Process of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride

There total 3 articles about 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride 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:

5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (91138-00-0) → 5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (205113-77-5)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; for 6h;

Reference yield:

5-methyl-1-phenethyl-1H-pyrazole-4-carboxylic acid → 5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (205113-77-5)

Guidance literature:

With thionyl chloride; at 87 ℃; for 1h;

Reference yield:

→ 5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride (205113-77-5)

Guidance literature:

With thionyl chloride;

upstream raw materials:

5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid

Downstream raw materials:

(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-(4-methylsulfanyl-phenyl)-methanone

p-methoxyphenyl 5-methyl-1H-1-phenylpyrazole-4-yl ketone

(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-p-tolyl-methanone

(5-methyl-1-phenyl-1H-pyrazol-4-yl)-phenyl-methanone

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