4-Nitroaniline (C6H6N2O2)

4-Nitroaniline presents a C6 framework, aromatic rings, a nitro group (formula C6H6N2O2, CAS 100-01-6). ChemicalTool Reaction can propose ranked disconnections for 4-Nitroaniline from the SMILES Nc1ccc([N+](=O)[O-])cc1.

Target: 4-Nitroaniline
CAS: 100-01-6
Formula: C6H6N2O2
Approx. MW: 138.13
SMILES: Nc1ccc([N+](=O)[O-])cc1
PubChem CID: 7475
Approx. carbons: C6

4-Nitroaniline structure

Properties

Molecular weight: 138.13

View on PubChem

4-Nitroaniline 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Nitroaniline?

4-Nitroaniline has molecular formula C6H6N2O2. Molecular weight about 138.13 g·mol⁻¹.

What is the CAS number of 4-Nitroaniline?

The CAS Registry Number for 4-Nitroaniline is 100-01-6.

Run AI retrosynthesis for 4-Nitroaniline Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H6N2O2.

Related targets

Similar compounds

2-Nitroaniline 1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Chloro-3-nitrobenzene 1-Iodo-3-nitrobenzene

Browse the full target catalog

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.