Terephthaloyl chloride

Name: Terephthaloyl chloride (CAS 100-20-9) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-01T12:03:06Z
Duration: 3 s
Channel: MolGod Scientific
Description: Terephthaloyl chloride (CAS 100-20-9) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 100-20-9 · C₈H₄Cl₂O₂ · MW 203.02 g/mol

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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Terephthaloyl chloride (CAS 100-20-9), C8H4Cl2O2 - 3D ball-and-stick molecular model, engraved element symbols (C H Cl O), MolGod STL preview

MG_305-917-014-06 · engraved · 242,132 △ · 12 MB · SHA-256 092c9487d40676e3

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Terephthaloyl chloride (CAS 100-20-9), C8H4Cl2O2 - 3D ball-and-stick molecular model, MolGod STL preview

MG_305-917-014-06 · normal · 7,136 △ · 349 KB · SHA-256 8202a0aa65b5042b

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About 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 Å², 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₈H₄Cl₂O₂
Molar mass	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 Å²
HBD / HBA	0 / 2
PubChem CID	CID 7488 ↗

GHS safety

Signal word: Danger

GHS05

GHS08

H314 — Causes severe skin burns and eye damage

H318 — Causes serious eye damage

H371 — May cause damage to organs

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Hydrolytic stability of terephthaloyl chloride and isophthaloyl chloride.

Berti WR, Wolstenholme BW, Kozlowski JJ et al. (2006) · Environmental science & technology

$ PaywallDOI ↗PubMed ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

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

Data sources

📊 PubChem CID 7488 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

(-)-Zingiberene (CAS 495-60-3) CAS 495-60-3 · C15H24 Potassium (CAS 7440-09-7) CAS 7440-09-7 · K N,N′-methylenedimorpholine (CAS 5625-90-1) CAS 5625-90-1 · C9H18N2O2 Chloroform (CAS 67-66-3) CAS 67-66-3 · CHCl3 Quetiapine (CAS 111974-69-7) CAS 111974-69-7 · C21H25N3O2S Vanillin (CAS 121-33-5) CAS 121-33-5 · C8H8O3

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: Terephthaloyl chloride · 100-20-9
InChIKey: LXEJRKJRKIFVNY-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Terephthaloyl chloride (CAS 100-20-9)
License & provenance record: Terephthaloyl chloride (CAS 100-20-9) →
MolGod molecule record: Terephthaloyl chloride →
Source data: PubChem CID 7488 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 8202a0aa65b5042b60081b8919079cf4514213ce66a97b4a79abfcbfb069b376
MD5 (STL): 36b0f600ddda39970f582426a2ca2ca3
MolGod Identification Number: MG_305-917-014-06
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model (349 KB)📄 Download 3D model · ENGRAVED · C H Cl O · (12 MB)

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