2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one

Name: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one (CAS 2631-72-3) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-10T19:54:19Z
Duration: 3 s
Channel: MolGod Scientific
Description: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one (CAS 2631-72-3) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 2631-72-3 · C₈H₅BrCl₂O · MW 267.93 g/mol

Full record: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one — Safety Data Sheet →

Model views

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

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ENGRAVEDNORMAL

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one, C8H5BrCl2O, CAS 2631-72-3 - 3D molecular model — © MolGod.org — All rights reserved · image rights

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one (CAS 2631-72-3), C8H5BrCl2O - 3D ball-and-stick molecular model, engraved element symbols (C H Br Cl O), MolGod STL preview

MG_461-665-336-63 · engraved · 316,166 △ · 15 MB · SHA-256 31454ee623363d00

Download 3D model: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one, C₈H₅BrCl₂O, CAS 2631-72-3 · ENGRAVED (C, H, Br, Cl, O) · 15 MB

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one (CAS 2631-72-3), C8H5BrCl2O - 3D ball-and-stick molecular model, MolGod STL preview

MG_461-665-336-63 · normal · 7,456 △ · 364 KB · SHA-256 ebf23063174b13d1

Download 3D model: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one, C₈H₅BrCl₂O, CAS 2631-72-3 · NORMAL · 364 KB

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About 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one is a chemical compound registered under number CAS 2631-72-3, with the molecular formula C₈H₅BrCl₂O, and a molar mass of 267.93 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 2-bromo-1-(2,4-dichlorophenyl)ethanone. 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 = 3.7 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Å², 0 donors and 1 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	C₈H₅BrCl₂O
Molar mass	267.93 g/mol
IUPAC	2-bromo-1-(2,4-dichlorophenyl)ethanone
SMILES	`C1=CC(=C(C=C1Cl)Cl)C(=O)CBr`
InChIKey	`DASJDMQCPIDJIF-UHFFFAOYSA-N`
logP (XLogP3)	3.7
PSA	17.1 Å²
HBD / HBA	0 / 1
PubChem CID	CID 75828 ↗

GHS safety

Signal word: Danger

GHS05

GHS06

GHS07

H301 — Toxic if swallowed

H315 — Causes skin irritation

H318 — Causes serious eye damage

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 2631-72-3 w PubMed / OpenAlex / Semantic Scholar.

Data sources

📊 PubChem CID 75828 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

4-Chlorobenzophenone CAS 134-85-0 · C13H9ClO Similar structure · Tanimoto 0.29 Phenylacetic Acid CAS 103-82-2 · C8H8O2 Shared hazard H318

📜 License & provenanceMolGod_License_1

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

Model: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one · 2631-72-3
InChIKey: DASJDMQCPIDJIF-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one (CAS 2631-72-3)
License & provenance record: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one (CAS 2631-72-3) →
MolGod molecule record: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one →
Source data: PubChem CID 75828 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): ebf23063174b13d175d16759afd29385cfa645a6ffe03ef4fb792dffc352cc69
MD5 (STL): a86be468b2aebe38d8edcabe35a71aea
MolGod Identification Number: MG_461-665-336-63
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: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one, C₈H₅BrCl₂O, CAS 2631-72-3 · NORMAL · 364 KB 📄 Download 3D model: 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one, C₈H₅BrCl₂O, CAS 2631-72-3 · ENGRAVED (C, H, Br, Cl, O) · 15 MB

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