4-nitroaniline (CAS 100-01-6)

4-nitroaniline (CAS 100-01-6) is a chemical compound registered under number CAS 100-01-6, with the molecular formula C₆H₆N₂O₂, and a molar mass of 138.12 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 4-nitroaniline. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 71.8 Ų, 1 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Signal word: Danger

H331 — Toxic if inhaled

H311 — Toxic in contact with skin

H301 — Toxic if swallowed

H373 — May cause damage to organs through prolonged or repeated exposure

H412 — Harmful to aquatic life with long lasting effects

• 📊 PubChem CID 7475 — NIH
• 🔬 NIST WebBook — spectroscopy
• 🌐 Wikidata
• 💊 ChEMBL — bioactivity