1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester

CAS 19851-61-7 · C₂₂H₁₈O₄ · MW 346.4 g/mol

About 1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester

1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester is a chemical compound registered under number CAS 19851-61-7, with the molecular formula C₂₂H₁₈O₄, and a molar mass of 346.4 g/mol.

The molecule contains 44 atoms connected by 46 chemical bonds. The full systematic IUPAC name of this compound is dibenzyl benzene-1,4-dicarboxylate. 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 = 5.3 (positive value, a lipophilic compound), polar surface area PSA = 52.6 Å², 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.

Physicochemical properties

Molecular formula	C₂₂H₁₈O₄
Masa molowa	346.4 g/mol
IUPAC	dibenzyl benzene-1,4-dicarboxylate
SMILES	`C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3`
InChIKey	`IWGFEQWCMAADJZ-UHFFFAOYSA-N`
logP (XLogP3)	5.3
PSA	52.6 Å²
HBD / HBA	0 / 4
PubChem CID	CID 88280 ↗

GHS safety

Signal word: Warning

GHS07

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Related literature

20 articles · 13 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (20 articles)

Bar height = number of articles per year. Hover dla szczegółów.

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Mechanochemical synthesis, luminescent and magnetic properties of lanthanide benzene-1,4-dicarboxylate coordination polymers (Ln(0.5)Gd(0.5))(2) (1,4-BDC)(3)(H2O)(4); Ln = Sm, Eu, Tb

Gupta, Shalabh, Biswas, Anis, Zhou, Lin et al. (2020)

Cytowania: 28Open AccessDOI ↗PDF ↗

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Dependence of intrinsic flame resistance on the substitution pattern of benzene dicarboxylate-based epoxy resins

Florian Bauer, Benedikt Röber, Gerd Wehnert et al. (2026) · Polymer Testing

Cytowania: 1Open AccessDOI ↗PDF ↗

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Poly[[dodecaaqua(μ4-benzene-1,4-dicarboxylato)(μ2-4,4′-bipyridine-κ2N:N′)dicerium(III)] bis(benzene-1,4-dicarboxylate)]

Yoshiyuki Sakamoto, Shinji Inagaki, Hitoshi Kumagai et al. (2012) · International Union of Crystallography

Cytowania: 2Open AccessDOI ↗PDF ↗

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catena-Poly[[aquabis(N6-benzyladenine-κN3)copper(II)]-μ-benzene-1,4-dicarboxylato-κ2O1:O4]

Wen-Bo Li (2011) · International Union of Crystallography

Cytowania: 2Open AccessDOI ↗PDF ↗

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Dependence of Intrinsic Flame Resistance and Crosslinking Density on the Substitution Pattern of Benzene Dicarboxylate-Based Epoxy Resins

Florian Bauer, Benedikt Röber, Gerd Wehnert et al. (2026)

Open AccessDOI ↗PDF ↗

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Bis[diethyl(hydroxy)ammonium] benzene-1,4-dicarboxylate

Hai-Bin Wang, De-Ming Xie, Hai-Xiang Chen et al. (2010) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

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2-Phenylimidazolium hemi(benzene-1,4-dicarboxylate) trihydrate

Heng-Da Li (2011) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

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catena-Poly[[[aqua(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-dicarboxylato] benzene-1,4-dicarboxylic acid hemisolvate]

Weihe Han, Zhuanzhuan Wang, Zhihong Liu (2009) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

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Poly[di-μ4-benzene-1,4-dicarboxylato-μ6-succinato-diholmium(III)]

Bao-Jun Huang, Qin He (2008) · International Union of Crystallography

Cytowania: 1Open AccessDOI ↗PDF ↗

The thermodynamics of hydrocarbon solutions - II. The systems benzene+diphenyl, benzene+diphenylmethane and benzene+dibenzyl

D. H. Everett, Mary Frances Penney (1952) · Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences

Cytowania: 17$ PaywallDOI ↗

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Dibenzyl-(1S*,2S*)-2,3-dihydro-1H-indene-1,2-dicarboxylate

Diego Olivieri, Riccardo Tarroni, Carla Carfagna (2023) · Molbank

Open AccessDOI ↗PDF ↗

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Application of Synthesized Metal Organic Frameworks of Silver Benzene-1, 4-Dicarboxylate on Crude Oil Spill

(2023) · Chemical Process Equipment

Open AccessDOI ↗PDF ↗

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Mechanochemical synthesis, luminescent and magnetic properties of lanthanide benzene-1,4-dicarboxylate coordination polymers (Ln0.5Gd0.5)2 (1,4-BDC)3(H2O)4; Ln = Sm, Eu, Tb

Hlova, Ihor, Pecharsky, Vitalij, Gupta, Shalabh et al. (2020)

Open AccessPDF ↗

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catena-Poly[[aqua(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-dicarboxylato]

Hongping Hu (2009) · International Union of Crystallography

Open AccessDOI ↗PDF ↗

The Synthesis of Dibenzyl trans‐{7‐oxo‐3‐phenyl‐6‐phenylacetamido‐1‐azabicyclo [3.2.0]heptane}‐2,2‐dicarboxylate (Carbapenam)

Gholam Hosein Hakimelahi, Antonio Ugolini, George Just (1982) · Helvetica Chimica Acta

Cytowania: 8$ PaywallDOI ↗

Synthesis and analysis of O,O′-dicarboxylate (dibenzyl) bispilocarpates as possible prodrugs of pilocarpine

Tomi Järvinen, Pekka Suhonen, Seppo Auriola et al. (1992) · Journal of Pharmaceutical and Biomedical Analysis

Cytowania: 5$ PaywallDOI ↗

Nitrogen-Doped Carbon Dots/2D Nickel-Benzene-1,4-Dicarboxylate MetalOrganic Framework Nanocomposites as Stabilizers for Pickering Emulsion Lubricants

$ PaywallDOI ↗

Nitrogen-Doped Carbon Dots/2D Nickel-Benzene-1,4-Dicarboxylate MetalOrganic Framework Nanocomposites as Stabilizers for Pickering Emulsion Lubricants

$ PaywallDOI ↗

Nitrogen-Doped Carbon Dots/2D Nickel-Benzene-1,4-Dicarboxylate MetalOrganic Framework Nanocomposites as Stabilizers for Pickering Emulsion Lubricants

$ PaywallDOI ↗

Comparative OHD-RIKES Study of the Low-Frequency (0250 cm1) Vibrational Dynamics of Dibenzyl- and Monobenzyl-Substituted Imidazolium Ionic Liquids and Benzene/Dimethylimidazolium Mixtures

$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms

1,4-Benzenedicarboxylic acid, bis(phenylmethyl) ester · RefChem:416046 · Dibenzyl terephthalate · 19851-61-7 · dibenzyl benzene-1,4-dicarboxylate · 1,4-Benzenedicarboxylic acid, 1,4-bis(phenylmethyl) ester · MFCD00075729 · 1,4-Benzenedicarboxylic Acid, Bis(phenylmethyl) Ester; · terephthalic acid dibenzyl ester · EINECS 243-370-0 · 1,4-Dibenzyl terephthalate · SCHEMBL312287 · Terephthalic acid, dibenzyl ester · IWGFEQWCMAADJZ-UHFFFAOYSA-N · FT70695

Data sources

📊 PubChem CID 88280 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność

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