α-chlorotoluene (CAS 100-44-7)

Benzyl Chloride

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

α-chlorotoluene (CAS 100-44-7) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Benzyl Chloride, CAS 100-44-7, molecular formula C7H7Cl, molar mass 126.58 g/mol

Model views

  • Benzyl Chloride (CAS 100-44-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Benzyl Chloride (CAS 100-44-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Benzyl Chloride (CAS 100-44-7) – 2D structure, MolGod Viewer
    2D structure

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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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H7Cl
Molar mass126.58 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 — May cause cancer

H331 — Toxic if inhaled

H302 — Harmful if swallowed

H335 — May cause respiratory irritation

H373 — May cause damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H318 — Causes serious eye damage

Scientific literature

Brak articles naukowych dla CAS 100-44-7 w PubMed / OpenAlex / Semantic Scholar.

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
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Benzyl Chloride · 100-44-7
InChIKey
KCXMKQUNVWSEMD-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Benzyl Chloride (CAS 100-44-7)
License & provenance record
Benzyl Chloride (CAS 100-44-7) →
MolGod molecule record
Benzyl Chloride →
Source data
PubChem CID 7503 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c780d4b924058e232012c46e94982bfaf3b1e81e6a1b4754175688f4252b7256
MD5 (STL)
097e3791cabd1820187deba089b06243
MolGod Identification Number
MG_994-015-924-46
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
Free printable molecule model
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