1-Methyl-1h-indazole-3-carbonitrile

Base Information

• Chemical Name: 1-Methyl-1h-indazole-3-carbonitrile
• CAS No.: 31748-44-4
• Molecular Formula: C9H7 N3
• Molecular Weight: 157.175
• Hs Code.: 2933990090
• NSC Number: 140857
• DSSTox Substance ID: DTXSID20301061
• Wikidata: Q82044601
• Mol file: 31748-44-4.mol

Synonyms:1-methyl-1h-indazole-3-carbonitrile;31748-44-4;1-methylindazole-3-carbonitrile;NSC140857;SCHEMBL1777889;3-Cyano-1-methyl-1H-indazole;DTXSID20301061;XXPCFXLOLXYNRI-UHFFFAOYSA-N;MFCD09971307;AKOS006312588;NSC-140857;BS-25258;CS-0183700;EN300-746126;P10879;1-Methyl-1H-indazole-3-carbonitrile, AldrichCPR;J-504877;Z1198266889

Chemical Property of 1-Methyl-1h-indazole-3-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000304mmHg at 25°C
• Boiling Point: 321.1°Cat760mmHg
• PKA: -2.16±0.50(Predicted)
• Flash Point: 148°C
• PSA: 41.61000
• Density: 1.19g/cm³
• LogP: 1.44498
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.063997236
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

1-methyl-1H-indazole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=N1)C#N

Technology Process of 1-Methyl-1h-indazole-3-carbonitrile

There total 2 articles about 1-Methyl-1h-indazole-3-carbonitrile 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:

indazole-3-carbonitrile (50264-88-5) + methyl iodide (74-88-4) → 1-methyl-1H-indazole-3-carbonitrile (31748-44-4)

Guidance literature:

at 150 ℃;

DOI:10.1021/ja01163a068

Reference yield:

indazole-3-carbonitrile (50264-88-5) + dimethyl sulfate (77-78-1) → 1-methyl-1H-indazole-3-carbonitrile (31748-44-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01163a068

Reference yield:

1-methyl-1H-indazole-3-carbonitrile (31748-44-4) → 1-methyl-1H-indazole-3-carboxylic acid (50890-83-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01163a068

upstream raw materials:

indazole-3-carbonitrile

dimethyl sulfate

methyl iodide

Downstream raw materials:

1-methyl-1H-indazole-3-carboxylic acid