4-Bromo-3,5-dimethoxybenzoic acid

CAS 56518-42-4  ·  C9H9BrO4  ·  MW 261.07 g/mol

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3D model 4-Bromo-3,5-dimethoxybenzoic acid, CAS 56518-42-4, molecular formula C9H9BrO4, molar mass 261.07 g/mol
About 4-Bromo-3,5-dimethoxybenzoic acid

4-Bromo-3,5-dimethoxybenzoic acid is a chemical compound registered under number CAS 56518-42-4, with the molecular formula C9H9BrO4, and a molar mass of 261.07 g/mol.

The molecule contains 23 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is 4-bromo-3,5-dimethoxybenzoic acid. 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 = 2.1 (positive value, a lipophilic compound), polar surface area PSA = 55.8 Ų, 1 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 formulaC9H9BrO4
Masa molowa261.07 g/mol
IUPAC4-bromo-3,5-dimethoxybenzoic acid
SMILESCOC1=CC(=CC(=C1Br)OC)C(=O)O
InChIKeyJNFZULSIYYVRJO-UHFFFAOYSA-N
logP (XLogP3)2.1
PSA55.8 Ų
HBD / HBA1 / 4
PubChem CIDCID 2774026 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1994: 1 articles19942011: 1 articles2014: 1 articles2015: 1 articles2016: 1 articles2017: 2 articles20172020: 1 articles2021: 1 articles2022: 1 articles2024: 1 articles2025: 1 articles2025

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

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

Synonyms
4-Bromo-3,5-dimethoxybenzoic acid · 56518-42-4 · JNFZULSIYYVRJO-UHFFFAOYSA- · RefChem:98110 · DTXCID70329876 · 676-605-4 · MFCD01632140 · Benzoic acid, 4-bromo-3,5-dimethoxy- · SCHEMBL976822 · AKOS001321234 · CS-W012498 · AS-15609 · SY049076 · EN300-15138 · Z104510360
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
4-Bromo-3,5-dimethoxybenzoic acid — CAS 56518-42-4

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
4-Bromo-3,5-dimethoxybenzoic acid (CAS 56518-42-4) — License & Provenance

Source:
4-Bromo-3,5-dimethoxybenzoic acid (CAS 56518-42-4) — MolGod molecule record

Source data: PubChem CID 2774026

STL: Download 3D model (467 KB)

SHA-256: c8769fbf9bb10b23ac6aa3c51ae1032c535d14ee11a806bad3f4d68e30488658

Wikimedia Commons: not published yet

Source data: PubChem CID 2774026

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