Α-chlorotoluene (CAS 100-44-7)

Benzyl Chloride

CAS 100-44-7  ·  C7H7Cl  ·  MW 126.58 g/mol

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3D model Benzyl Chloride, CAS 100-44-7, molecular formula C7H7Cl, molar mass 126.58 g/mol
About Α-chlorotoluene (CAS 100-44-7)

Α-chlorotoluene (CAS 100-44-7) is a chemical compound registered under number CAS 100-44-7, with the molecular formula C7H7Cl, and a molar mass of 126.58 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is chloromethylbenzene. 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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 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 formulaC7H7Cl
Masa molowa126.58 g/mol
IUPACchloromethylbenzene
SMILESC1=CC=C(C=C1)CCl
InChIKeyKCXMKQUNVWSEMD-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 7503 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS08
GHS08

H350 — Może powodować raka

H331 — Działa toksycznie w następstwie wdychania

H302 — Działa szkodliwie po połknięciu

H335 — Może powodować podrażnienie dróg oddechowych

H373 — Może powodować uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H315 — Działa drażniąco na skórę

H318 — Powoduje poważne uszkodzenie oczu

Scientific literature

Related literature

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

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

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

Synonyms
BENZYL CHLORIDE · (Chloromethyl)benzene · 100-44-7 · Chloromethylbenzene · alpha-Chlorotoluene · Benzylchloride · Benzylchlorid · Chlorophenylmethane · Tolyl chloride · Chlorure de benzyle · alpha-Chlortoluol · omega-Chlorotoluene · Benzene, (chloromethyl)- · RCRA waste number P028 · Toluene, alpha-chloro-
Data sources
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License & Provenance

MolGod 3D molecular model
Benzyl Chloride — CAS 100-44-7

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

MolGod License & Provenance Record:
Benzyl Chloride (CAS 100-44-7) — License & Provenance

Source:
Benzyl Chloride (CAS 100-44-7) — MolGod molecule record

Source data: PubChem CID 7503

STL: Download 3D model (305 KB)

SHA-256: 7ea285988e510a011b996f14c90b026d2471efe68552a0cd6bed97d7f541ce62

Wikimedia Commons: not published yet

Source data: PubChem CID 7503

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.