Ethanedioic acid, 1,2-bis[(4-chlorophenyl)methyl] ester

Ethanedioic acid, 1,2-bis[(4-chlorophenyl)methyl] ester is a chemical compound registered under number CAS 19829-42-6, with the molecular formula C₁₆H₁₂Cl₂O₄, and a molar mass of 339.2 g/mol.

The molecule contains 34 atoms connected by 35 chemical bonds. The full systematic IUPAC name of this compound is bis[(4-chlorophenyl)methyl] oxalate. 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 = 4.6 (positive value, a lipophilic compound), polar surface area PSA = 52.6 Ų, 0 donors and 4 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	C16H12Cl2O4
Masa molowa	339.2 g/mol
IUPAC	bis[(4-chlorophenyl)methyl] oxalate
SMILES	C1=CC(=CC=C1COC(=O)C(=O)OCC2=CC=C(C=C2)Cl)Cl
InChIKey	QWHCTYYBLDCYIT-UHFFFAOYSA-N
logP (XLogP3)	4.6
PSA	52.6 Ų
HBD / HBA	0 / 4
PubChem CID	CID 14251073 ↗

Signal word: Warning

H373 — Może powodować uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

19829-42-6 · Ethanedioic acid, 1,2-bis[(4-chlorophenyl)methyl] ester · Ethanedioic acid, bis((4-chlorophenyl)methyl) ester · Ethanedioic acid, 1,2-bis((4-chlorophenyl)methyl) ester · Ethanedioic acid, bis[(4-chlorophenyl)methyl] ester · RefChem:138143 · DTXCID201024502 · Bis(4-chlorobenzyl) oxalate · Bis(4-chlorobenzyl)oxalate · BIS[(4-CHLOROPHENYL)METHYL] OXALATE · SCHEMBL28142 · QWHCTYYBLDCYIT-UHFFFAOYSA-N · MFCD26793468 · Bis[(4-chlorophenyl)methyl] ethanedioate · SY423859

• 📊 PubChem CID 14251073 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność