4-Amino-2-(trifluoromethyl)benzonitrile (C8H5F3N2)

4-Amino-2-(trifluoromethyl)benzonitrile (C8H5F3N2; CAS 654-70-6) is a practical retrosynthesis target. 4-Amino-2-(trifluoromethyl)benzonitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: 4-Amino-2-(trifluoromethyl)benzonitrile
CAS: 654-70-6
Formula: C8H5F3N2
Approx. MW: 186.14
SMILES: N#Cc1ccc(N)cc1C(F)(F)F
PubChem CID: 522170
Approx. carbons: C8

4-Amino-2-(trifluoromethyl)benzonitrile structure

Properties

Molecular weight: 186.14

View on PubChem

4-Amino-2-(trifluoromethyl)benzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Amino-2-(trifluoromethyl)benzonitrile?

4-Amino-2-(trifluoromethyl)benzonitrile has molecular formula C8H5F3N2. Molecular weight about 186.14 g·mol⁻¹.

What is the CAS number of 4-Amino-2-(trifluoromethyl)benzonitrile?

The CAS Registry Number for 4-Amino-2-(trifluoromethyl)benzonitrile is 654-70-6.

Run AI retrosynthesis for 4-Amino-2-(trifluoromethyl)benzonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H5F3N2.

Related targets

Similar compounds

(Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 2-(2-Chlorophenyl)ethylamine 2-(Trifluoromethoxy)benzonitrile 2-(Trifluoromethyl)benzylamine 2-Chloro-5-(trifluoromethyl)benzonitrile

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.