3-Chloro-4-fluorobenzonitrile

CAS 117482-84-5  ·  C7H3ClFN  ·  MW 155.55 g/mol

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3D model 3-Chloro-4-fluorobenzonitrile, CAS 117482-84-5, molecular formula C7H3ClFN, molar mass 155.55 g/mol
About 3-Chloro-4-fluorobenzonitrile

3-Chloro-4-fluorobenzonitrile is a chemical compound registered under number CAS 117482-84-5, with the molecular formula C7H3ClFN, and a molar mass of 155.55 g/mol.

The molecule contains 13 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 3-chloro-4-fluorobenzonitrile. 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 = 2.5 (positive value, a lipophilic compound), polar surface area PSA = 23.8 Ų, 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H3ClFN
Masa molowa155.55 g/mol
IUPAC3-chloro-4-fluorobenzonitrile
SMILESC1=CC(=C(C=C1C#N)Cl)F
InChIKeyVAHXXQJJZKBZDX-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA23.8 Ų
HBD / HBA0 / 2
PubChem CIDCID 145525 ↗
GHS safety

Signal word: Danger

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H332 — Działa szkodliwie w następstwie wdychania

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 7 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

2019: 1 articles20192020: 3 articles2021: 1 articles2022: 1 articles20222024: 1 articles2025: 4 articles2026: 4 articles2026

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
3-Chloro-4-fluorobenzonitrile · 117482-84-5 · RefChem:93425 · DTXCID8074285 · 628-619-7 · VAHXXQJJZKBZDX-UHFFFAOYSA-N · Benzonitrile, 3-chloro-4-fluoro- · 3-Chloro-4-fluoro-benzonitrile · MFCD00015431 · 3-chloro-4-fluorobenzenecarbonitrile · 3-chloro-4-florobenzonitrile · 3-chloro,4-fluorobenzonitrile · 3-Chloro4-fluorobenzo-nitrile · SCHEMBL233380 · 3-chloro-4-fluoro benzonitrile
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
3-Chloro-4-fluorobenzonitrile — CAS 117482-84-5

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

MolGod License & Provenance Record:
3-Chloro-4-fluorobenzonitrile (CAS 117482-84-5) — License & Provenance

Source:
3-Chloro-4-fluorobenzonitrile (CAS 117482-84-5) — MolGod molecule record

Source data: PubChem CID 145525

STL: Download 3D model (264 KB)

SHA-256: 1d9086a100c4186a3e36ac1fdd5d158e78a242781952776783e0f451d1594416

Wikimedia Commons: not published yet

Source data: PubChem CID 145525

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