4-Amino-2-fluoro-5-methylbenzonitrile

Base Information

• Chemical Name: 4-Amino-2-fluoro-5-methylbenzonitrile
• CAS No.: 1357942-79-0
• Molecular Formula: C₈H₇FN₂
• Molecular Weight: 150.155
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID30562303
• Wikidata: Q72437224
• Mol file: 1357942-79-0.mol

Synonyms:4-Amino-2-fluoro-5-methylbenzonitrile;1357942-79-0;2-Fluoro-4-amino-5-methylbenzonitrile;MFCD15529743;4-amino-2-fluoro-5-methyl-benzonitrile;SCHEMBL9821013;DTXSID30562303;STKTWKBZHAFRNZ-UHFFFAOYSA-N;AKOS015999692;SB76649;DS-17800;SY116262;CS-0105515;A886934

Chemical Property of 4-Amino-2-fluoro-5-methylbenzonitrile

Chemical Property:

• Boiling Point: 306.3±42.0 °C(Predicted)
• PKA: 0.56±0.10(Predicted)
• PSA: 49.81000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.16918
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.05932639
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

4-Amino-2-fluoro-5-methylbenzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)F)C#N

Technology Process of 4-Amino-2-fluoro-5-methylbenzonitrile

There total 1 articles about 4-Amino-2-fluoro-5-methylbenzonitrile 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:

4-bromo-5-fluoro-2-methylaniline (52723-82-7) → 4-amino-2-fluoro-5-methylbenzonitrile (1357942-79-0)

Guidance literature:

upstream raw materials:

4-bromo-5-fluoro-2-methylaniline

Refernces

• 1、 -. "Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals". . . Retrieved 2008/06/13.