2-Ethylhexyl chloride

2-Ethylhexyl chloride is a chemical compound registered under number CAS 123-04-6, with the molecular formula C₈H₁₇Cl, and a molar mass of 148.67 g/mol.

The molecule contains 26 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is 3-(chloromethyl)heptane. 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 = 4.4 (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.

Molecular formula	C8H17Cl
Masa molowa	148.67 g/mol
IUPAC	3-(chloromethyl)heptane
SMILES	CCCCC(CC)CCl
InChIKey	WLVCBAMXYMWGLJ-UHFFFAOYSA-N
logP (XLogP3)	4.4
PSA	0 Ų
HBD / HBA	0 / 0
PubChem CID	CID 31240 ↗

Signal word: Warning

H226 — Łatwopalna ciecz i pary

H315 — Działa drażniąco na skórę

H317 — Może powodować reakcję alergiczną skóry

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

3-(CHLOROMETHYL)HEPTANE · 123-04-6 · 2-Ethylhexyl chloride · Heptane, 3-(chloromethyl)- · 1-Chloro-2-ethylhexane · 3-Chloromethylheptane · NSC 8883 · EINECS 204-594-4 · BRN 1697456 · 1T84ZY4DN7 · AI3-28590 · NSC-8883 · WLVCBAMXYMWGLJ-UHFFFAOYSA- · EC 204-594-4 · 4-01-00-00430 (Beilstein Handbook Reference)

• 📊 PubChem CID 31240 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność