Terephthaloyl chloride

Terephthaloyl chloride is a chemical compound registered under number CAS 100-20-9, with the molecular formula C₈H₄Cl₂O₂, and a molar mass of 203.02 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is benzene-1,4-dicarbonyl chloride. 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 = 4 (positive value, a lipophilic compound), polar surface area PSA = 34.1 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	C8H4Cl2O2
Masa molowa	203.02 g/mol
IUPAC	benzene-1,4-dicarbonyl chloride
SMILES	C1=CC(=CC=C1C(=O)Cl)C(=O)Cl
InChIKey	LXEJRKJRKIFVNY-UHFFFAOYSA-N
logP (XLogP3)	4
PSA	34.1 Ų
HBD / HBA	0 / 2
PubChem CID	CID 7488 ↗

Signal word: Danger

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H318 — Powoduje poważne uszkodzenie oczu

H371 — Może spowodować uszkodzenie narządów

Terephthaloyl chloride · 100-20-9 · Terephthaloyl dichloride · 1,4-BENZENEDICARBONYL DICHLORIDE · p-Phthaloyl chloride · Terephthalic acid dichloride · Terephthalic dichloride · p-Phthaloyl dichloride · Terephthalyl dichloride · p-Phenylenedicarbonyl dichloride · 1,4-Benzenedicarbonyl chloride · NSC-41885 · G247CO9608 · DTXCID506653 · RefChem:415923

• 📊 PubChem CID 7488 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność