4-Amino-3-(trifluoromethoxy)benzonitrile

Base Information

• Chemical Name: 4-Amino-3-(trifluoromethoxy)benzonitrile
• CAS No.: 175278-23-6
• Molecular Formula: C8H5F3N2O
• Molecular Weight: 202.13
• Hs Code.: 2926909090
• European Community (EC) Number: 670-891-4
• DSSTox Substance ID: DTXSID60371041
• Wikidata: Q72442717
• Mol file: 175278-23-6.mol

Synonyms:4-Amino-3-(trifluoromethoxy)benzonitrile;175278-23-6;Benzonitrile, 4-amino-3-(trifluoromethoxy)-;4-AMINO-3-TRIFLUOROMETHOXYBENZONITRILE;SCHEMBL224235;DTXSID60371041;CHEBI:194588;4-cyano-2-trifluoromethoxy-aniline;CL9008;MFCD00204177;AKOS015854710;AC-4022;AM61802;PS-8190;SB77818;4-amino-3-(triluoromethoxy)benzonitrile;4-amino-3-trifluoromethoxy-benzonitrile;CS-0081112;FT-0617475;A20904;4-azanyl-3-(trifluoromethyloxy)benzenecarbonitrile;A800555;4-amino-3-(trifluoromethoxy)benzonitrile, AldrichCPR;3-Trifluoromethyl-4-cyanoaniline;4-Amino-3-trifluoromethoxy-benzonitrile

Chemical Property of 4-Amino-3-(trifluoromethoxy)benzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 72 °C
• Boiling Point: 248.551 °C at 760 mmHg
• Flash Point: 104.12 °C
• PSA: 59.04000
• Density: 1.423 g/cm^3/sup>
• LogP: 2.62028
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 202.03539727
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-3-(trifluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-43
• Safety Statements: 22-36/37/39-37/39-26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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