2-Iodo-4-(trifluoromethyl)benzoic acid

CAS 54507-44-7  ·  C8H4F3IO2  ·  MW 316.02 g/mol

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3D model 2-Iodo-4-(trifluoromethyl)benzoic acid, CAS 54507-44-7, molecular formula C8H4F3IO2, molar mass 316.02 g/mol
About 2-Iodo-4-(trifluoromethyl)benzoic acid

2-Iodo-4-(trifluoromethyl)benzoic acid is a chemical compound registered under number CAS 54507-44-7, with the molecular formula C8H4F3IO2, and a molar mass of 316.02 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 2-iodo-4-(trifluoromethyl)benzoic 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 = 3 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 donors and 5 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 formulaC8H4F3IO2
Masa molowa316.02 g/mol
IUPAC2-iodo-4-(trifluoromethyl)benzoic acid
SMILESC1=CC(=C(C=C1C(F)(F)F)I)C(=O)O
InChIKeyWCLYLTXCKMZNOH-UHFFFAOYSA-N
logP (XLogP3)3
PSA37.3 Ų
HBD / HBA1 / 5
PubChem CIDCID 16244090 ↗
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 · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

2000: 1 articles20002011: 1 articles2016: 1 articles2018: 1 articles2019: 1 articles20192020: 1 articles2022: 4 articles2024: 2 articles2025: 2 articles2025

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(2025) · Journal of Applied Polymer Science
Open AccessDOI ↗PDF ↗

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

Synonyms
2-iodo-4-(trifluoromethyl)benzoic acid · 54507-44-7 · RefChem:262190 · DTXCID90536404 · 2-Iodo-4-trifluoromethyl-benzoic acid · 2-Iodo-4-trifluoromethylbenzoic acid · MFCD06408817 · Benzoic acid, 2-iodo-4-(trifluoromethyl)- · SCHEMBL426615 · CL8049 · 2-iodo-4-trifluoromethylbenzoicacid · 2-iodo-4-(trifluoromethyl)benzoicacid · AKOS015919724 · CS-W012033 · DS-14747
Data sources
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