2-Chloro-4-hydroxybenzonitrile (CAS 3336-16-1)

2-Chloro-4-hydroxybenzonitrile (CAS 3336-16-1) is a chemical compound registered under number CAS 3336-16-1, with the molecular formula C₇H₄ClNO, and a molar mass of 153.56 g/mol.

The molecule contains 14 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 2-chloro-4-hydroxybenzonitrile. 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 = 44 Ų, 1 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.

Wzór sumaryczny	C7H4ClNO
Masa molowa	153.56 g/mol
IUPAC	2-chloro-4-hydroxybenzonitrile
SMILES	C1=CC(=C(C=C1O)Cl)C#N
InChIKey	BDDVAWDNVWLHDQ-UHFFFAOYSA-N
logP (XLogP3)	2.4
PSA	44 Ų
HBD / HBA	1 / 2
PubChem CID	CID 592797 ↗

Sygnał: Uwaga

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H332 — Działa szkodliwie w następstwie wdychania

H335 — Może powodować podrażnienie dróg oddechowych

2-Chloro-4-hydroxybenzonitrile · 3336-16-1 · RefChem:469009 · DTXCID60294943 · 628-302-3 · 3-Chloro-4-cyanophenol · MFCD00052185 · 2-chloro-4-hydroxy-benzonitrile · SCHEMBL473963 · 2-chloro-4-hydroxy benzonitrile · 2-chloro-4-hydroxybenzenecarbonitrile · AKOS009156698 · CS-W008114 · TS-02048 · Benzonitrile, 2-chloro-4-hydroxy-

• 📊 PubChem CID 592797 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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