(o-Chlorophenyl)acetonitrile

CAS 2856-63-5  ·  C8H6ClN  ·  MW 151.59 g/mol

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3D model (o-Chlorophenyl)acetonitrile, CAS 2856-63-5, molecular formula C8H6ClN, molar mass 151.59 g/mol
About (o-Chlorophenyl)acetonitrile

(o-Chlorophenyl)acetonitrile is a chemical compound registered under number CAS 2856-63-5, 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-(2-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 = 2.2 (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-(2-chlorophenyl)acetonitrile
SMILESC1=CC=C(C(=C1)CC#N)Cl
InChIKeyMRDUURPIPLIGQX-UHFFFAOYSA-N
logP (XLogP3)2.2
PSA23.8 Ų
HBD / HBA0 / 1
PubChem CIDCID 76112 ↗
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

H330 — Wdychanie grozi śmiercią

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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

📈 Publication timeline (15 articles)

2007: 1 articles20072009: 1 articles2017: 12 articles20172018: 1 articles2018

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
2856-63-5 · Benzeneacetonitrile, 2-chloro- · (2-Chlorophenyl)acetonitrile · 2-Chlorobenzeneacetonitrile · (o-Chlorophenyl)acetonitrile · Acetonitrile, (o-chlorophenyl)- · EINECS 220-669-4 · NSC 39462 · RefChem:406710 · DTXCID80105264 · Benzeneacetonitrile, 2-chloro-(9CI) · Acetonitrile, (o-chlorophenyl)-(8CI) · 220-669-4 · 2-Chlorobenzyl cyanide · 2-(2-chlorophenyl)acetonitrile
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
(o-Chlorophenyl)acetonitrile — CAS 2856-63-5

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

MolGod License & Provenance Record:
(o-Chlorophenyl)acetonitrile (CAS 2856-63-5) — License & Provenance

Source:
(o-Chlorophenyl)acetonitrile (CAS 2856-63-5) — MolGod molecule record

Source data: PubChem CID 76112

STL: Download 3D model (325 KB)

SHA-256: ad7ca5d0bb0124b626a069ea1d221eceb0d6bbad6a5d4d41133e418bb24e0aa5

Wikimedia Commons: not published yet

Source data: PubChem CID 76112

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