4-Chlorobenzyl cyanide

CAS 140-53-4  ·  C8H6ClN  ·  MW 151.59 g/mol

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3D model 4-Chlorobenzyl cyanide, CAS 140-53-4, molecular formula C8H6ClN, molar mass 151.59 g/mol
About 4-Chlorobenzyl cyanide

4-Chlorobenzyl cyanide is a chemical compound registered under number CAS 140-53-4, with the molecular formula C8H6ClN, and a molar mass of 151.59 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 2-(4-chlorophenyl)acetonitrile. 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 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC8H6ClN
Masa molowa151.59 g/mol
IUPAC2-(4-chlorophenyl)acetonitrile
SMILESC1=CC(=CC=C1CC#N)Cl
InChIKeyIVYMIRMKXZAHRV-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA23.8 Ų
HBD / HBA0 / 1
PubChem CIDCID 241582 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS07
GHS07

H301 — Działa toksycznie po połknięciu

H311 — Działa toksycznie w kontakcie ze skórą

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H331 — Działa toksycznie w następstwie wdychania

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

20 articles · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (20 articles)

1967: 1 articles19671986: 1 articles1987: 1 articles1990: 1 articles2006: 1 articles2010: 2 articles20102018: 1 articles2020: 3 articles2023: 5 articles2024: 1 articles2025: 2 articles2025

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

W. Sun, N. Read, P. Miner et al. (1990) · International Journal of Colorectal Disease
AI Summary
Spontaneous relaxation of the internal sphincter may be an important factor leading to faecal incontinence in patients with a sensitive rectum, especially as they tend to occur in these subjects in the absence of a compensatory increase in external spHincter activity.
Cytowania: 43Influential: 2$ PaywallDOI ↗PubMed ↗
S. Khemani, P. Patel, Arvind Singh et al. (2010) · Clinical Otolaryngology
AI Summary
1 Melroy C.T. & Senior B.A. (2006) Benign sinonasal neoplasms: a focus on inverting papilloma: an analysis of 200 cases.
Cytowania: 8Influential: 1$ PaywallDOI ↗PubMed ↗

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-Chlorobenzyl cyanide · 140-53-4 · (4-Chlorophenyl)acetonitrile · 4-Chlorophenylacetonitrile · 2-(4-Chlorophenyl)acetonitrile · Benzeneacetonitrile, 4-chloro- · p-Chlorobenzyl cyanide · 4-Chlorobenzeneacetonitrile · (p-Chlorophenyl)acetonitrile · Acetonitrile, (p-chlorophenyl)- · p-Chlorophenylacetonitrile · MFCD00001918 · 4-Chlor-benzyl-cyanid · NSC 49108 · K2K7AKZ2Z7
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
4-Chlorobenzyl cyanide — CAS 140-53-4

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

MolGod License & Provenance Record:
4-Chlorobenzyl cyanide (CAS 140-53-4) — License & Provenance

Source:
4-Chlorobenzyl cyanide (CAS 140-53-4) — MolGod molecule record

Source data: PubChem CID 241582

STL: Download 3D model (325 KB)

SHA-256: d4f9573b276e3f43709f5f4d3553c6f64cee39146902a05e92c7cdd96e11fdb8

Wikimedia Commons: not published yet

Source data: PubChem CID 241582

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