4-Bromomethyl-3-nitrobenzoic acid

CAS 55715-03-2  ·  C8H6BrNO4  ·  MW 260.04 g/mol

Full record: 4-Bromomethyl-3-nitrobenzoic acid — Safety Data Sheet →

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3D model 4-Bromomethyl-3-nitrobenzoic acid, CAS 55715-03-2, molecular formula C8H6BrNO4, molar mass 260.04 g/mol

Model views

  • 4-Bromomethyl-3-nitrobenzoic acid (CAS 55715-03-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 4-Bromomethyl-3-nitrobenzoic acid (CAS 55715-03-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 4-Bromomethyl-3-nitrobenzoic acid (CAS 55715-03-2) – 2D structure, MolGod Viewer
    2D structure

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About 4-Bromomethyl-3-nitrobenzoic acid

4-Bromomethyl-3-nitrobenzoic acid is a chemical compound registered under number CAS 55715-03-2, with the molecular formula C8H6BrNO4, and a molar mass of 260.04 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 4-(bromomethyl)-3-nitrobenzoic 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 = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 83.1 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC8H6BrNO4
Molar mass260.04 g/mol
IUPAC4-(bromomethyl)-3-nitrobenzoic acid
SMILESC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
InChIKeyQMAHVAFURJBOFV-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA83.1 Ų
HBD / HBA1 / 4
PubChem CIDCID 132386 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H314 — Causes severe skin burns and eye damage

Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

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

Synonyms
55715-03-2 · 4-Bromomethyl-3-nitrobenzoic acid · BNBA · RefChem:98203 · DTXCID30126742 · 4-(bromomethyl)-3-nitrobenzoic acid · MFCD00216575 · Benzoic acid, 4-(bromomethyl)-3-nitro- · 4-(Bromomethyl)-3-nitrobenzoicacid · 3-nitro-4-bromomethylbenzoic acid · 4-(bromomethyl)-3-nitro-benzoic acid · SCHEMBL40979 · CHEMBL1834878 · SCHEMBL13801545 · 3-nitro-4-bromomethyl benzoic acid
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
4-Bromomethyl-3-nitrobenzoic acid · 55715-03-2
InChIKey
QMAHVAFURJBOFV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 4-Bromomethyl-3-nitrobenzoic acid (CAS 55715-03-2)
License & provenance record
4-Bromomethyl-3-nitrobenzoic acid (CAS 55715-03-2) →
MolGod molecule record
4-Bromomethyl-3-nitrobenzoic acid →
Source data
PubChem CID 132386 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
070646c474f4247de216861a4b61b95e6e17442361f67a5d0a6a240763fa9b9d
MD5 (STL)
e96c7496ab9529d6c91088ea19611d38
MolGod Identification Number
MG_941-237-331-09
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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