Pentyl chloroformate

Pentyl chloroformate is a chemical compound registered under number CAS 638-41-5, with the molecular formula C₆H₁₁ClO₂, and a molar mass of 150.60 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is pentyl carbonochloridate. 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 = 3 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 2 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	C6H11ClO2
Masa molowa	150.60 g/mol
IUPAC	pentyl carbonochloridate
SMILES	CCCCCOC(=O)Cl
InChIKey	XHRRYUDVWPPWIP-UHFFFAOYSA-N
logP (XLogP3)	3
PSA	26.3 Ų
HBD / HBA	0 / 2
PubChem CID	CID 69489 ↗

Signal word: Danger

H226 — Łatwopalna ciecz i pary

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Pentyl chloroformate · Carbonochloridic acid, pentyl ester · NSC 7913 · EINECS 211-336-4 · RefChem:171512 · DTXCID5044108 · 211-336-4 · XHRRYUDVWPPWIP-UHFFFAOYSA-N · 638-41-5 · Amyl chloroformate · pentyl carbonochloridate · Chloroformic acid amyl ester · n-pentyl chloroformate · Chloroformic Acid n-Amyl Ester · Formic acid, chloro-, pentyl ester

• 📊 PubChem CID 69489 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność