4-Bromo-3-methylbenzonitrile

4-Bromo-3-methylbenzonitrile is a chemical compound registered under number CAS 41963-20-6, with the molecular formula C₈H₆BrN, and a molar mass of 196.04 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 4-bromo-3-methylbenzonitrile. 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 = 3.3 (positive value, a lipophilic compound), polar surface area PSA = 23.8 Ų, 0 donors and 1 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.

Molecular formula	C8H6BrN
Masa molowa	196.04 g/mol
IUPAC	4-bromo-3-methylbenzonitrile
SMILES	CC1=C(C=CC(=C1)C#N)Br
InChIKey	SKXUZFJOLNNWIG-UHFFFAOYSA-N
logP (XLogP3)	3.3
PSA	23.8 Ų
HBD / HBA	0 / 1
PubChem CID	CID 2737494 ↗

Signal word: Warning

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H332 — Działa szkodliwie w następstwie wdychania

4-Bromo-3-methylbenzonitrile · 41963-20-6 · RefChem:98132 · DTXCID50323130 · 628-521-4 · SKXUZFJOLNNWIG-UHFFFAOYSA-N · 4-Bromo-3-Methyl-Benzonitrile · MFCD00031538 · 4-bromo-3-methylbenzenecarbonitrile · benzonitrile, 4-bromo-3-methyl- · 4-bromo-3-methyl benzonitrile · 4-Bromo-3-methylbenzonitrile, 97% · AB01529 · SY014473 · Z104510740

• 📊 PubChem CID 2737494 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność