3-Chloro-2-fluorobenzonitrile

3-Chloro-2-fluorobenzonitrile is a chemical compound registered under number CAS 94087-40-8, with the molecular formula C₇H₃ClFN, and a molar mass of 155.55 g/mol.

The molecule contains 13 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 3-chloro-2-fluorobenzonitrile. 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 = 2.4 (positive value, a lipophilic compound), polar surface area PSA = 23.8 Ų, 0 donors and 2 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	C7H3ClFN
Masa molowa	155.55 g/mol
IUPAC	3-chloro-2-fluorobenzonitrile
SMILES	C1=CC(=C(C(=C1)Cl)F)C#N
InChIKey	CHKLNKWJIDQKFV-UHFFFAOYSA-N
logP (XLogP3)	2.4
PSA	23.8 Ų
HBD / HBA	0 / 2
PubChem CID	CID 523100 ↗

Signal word: Danger

H312 — Działa szkodliwie w kontakcie ze skórą

H332 — Działa szkodliwie w następstwie wdychania

3-Chloro-2-fluorobenzonitrile · 94087-40-8 · Benzonitrile, 3-chloro-2-fluoro- · 2-fluoro-3-chlorobenzonitrile · EINECS 301-934-4 · QR862S6CEL · RefChem:93397 · DTXCID00162915 · 301-934-4 · CHKLNKWJIDQKFV-UHFFFAOYSA-N · MFCD00042206 · 3-chloro-2-fluoro-benzonitrile · UNII-QR862S6CEL · SCHEMBL1813129 · 2-Fluoro-3-chloro-benzonitrile

• 📊 PubChem CID 523100 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność