2-Amino-5-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 2-Amino-5-(trifluoromethyl)benzonitrile
• CAS No.: 6526-08-5
• Molecular Formula: C8H5 F3 N2
• Molecular Weight: 186.136
• Hs Code.: 2926909090
• European Community (EC) Number: 691-020-4
• DSSTox Substance ID: DTXSID30504864
• Wikidata: Q72442768
• Mol file: 6526-08-5.mol

Synonyms:6526-08-5;2-amino-5-(trifluoromethyl)benzonitrile;2-Amino-5-trifluoromethylbenzonitrile;3-Cyano-4-aminobenzotrifluoride;4-Amino-3-cyanobenzotrifluoride;MFCD03407465;BENZONITRILE, 2-AMINO-5-(TRIFLUOROMETHYL)-;2-amino-5-(trifluoromethyl)benzenecarbonitrile;SCHEMBL165877;4-amino-3-cyano-benzotrifluoride;DTXSID30504864;CL8147;4-amino-3-cyano-trifluoromethylbenzene;4-amino-3-cyanotrifluoromethyl-benzene;AKOS005063912;2-Amino-5-trifluoromethyl-benzonitrile;AB14048;AC-2324;CS-W019981;PS-8481;SY030904;AM20050111;FT-0600117;EN300-127886;2-Amino-5-trifluoromethylbenzonitrile (4-Amino-3-cyanobenzotrifluoride);2-Amino-5-(trifluoromethyl)benzonitrile

Chemical Property of 2-Amino-5-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Melting Point: 72-74 °C(Solv: benzene (71-43-2))
• Boiling Point: 95-115ºC
• PKA: -0.02±0.10(Predicted)
• Flash Point: 116.189ºC
• PSA: 49.81000
• Density: 1.371g/cm3
• LogP: 2.74048
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 186.04048265
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-3-cyanobenzotrifluoride 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C#N)N

Technology Process of 2-Amino-5-(trifluoromethyl)benzonitrile

There total 9 articles about 2-Amino-5-(trifluoromethyl)benzonitrile 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: 76.0%

copper(l) cyanide + 2-iodo-4-(trifluoromethyl)aniline (163444-17-5) → 2-amino-5-(trifluoromethyl)benzonitrile (6526-08-5)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 24h;

DOI:10.1016/j.bmcl.2010.10.019

Reference yield: 64.0%

2-iodo-4-(trifluoromethyl)aniline (163444-17-5) + acetonitrile (75-05-8,26809-02-9) → 2-amino-5-(trifluoromethyl)benzonitrile (6526-08-5)

Guidance literature:

With copper diacetate; Triphenylphosphine oxide; silver(l) oxide; at 125 ℃; for 72h;

DOI:10.1055/s-0032-1317191

Reference yield: 55.0%

→ 2-amino-5-(trifluoromethyl)benzonitrile (6526-08-5)

Guidance literature:

In N,N-dimethyl-formamide; at 220 ℃; for 0.666667h; Microwave irradiation;

upstream raw materials:

2,2,2-trifluoro-N-(2-iodo-4-(trifluoromethyl)phenyl)acetamide

4-trifluoromethylphenylamine

2-iodo-4-(trifluoromethyl)aniline

copper(I) cyanide

Downstream raw materials:

2-(2,4-Dinitro-naphthalen-1-ylamino)-5-trifluoromethyl-benzonitrile

2-(2-Nitro-4,6-bis-trifluoromethyl-phenylamino)-5-trifluoromethyl-benzonitrile

2-(4-Nitro-2,6-bis-trifluoromethyl-phenylamino)-5-trifluoromethyl-benzonitrile

1,3-Bis(2-cyano-4-trifluormethylphenyl)triazen