Pentyl chloroformate

CAS 638-41-5  ·  C6H11ClO2  ·  MW 150.60 g/mol

Full record: Pentyl chloroformate — Safety Data Sheet →

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3D model Pentyl chloroformate, CAS 638-41-5, molecular formula C6H11ClO2, molar mass 150.60 g/mol

Model views

  • Pentyl chloroformate (CAS 638-41-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Pentyl chloroformate (CAS 638-41-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Pentyl chloroformate (CAS 638-41-5) – 2D structure, MolGod Viewer
    2D structure

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

Physicochemical properties
Molecular formulaC6H11ClO2
Molar mass150.60 g/mol
IUPACpentyl carbonochloridate
SMILESCCCCCOC(=O)Cl
InChIKeyXHRRYUDVWPPWIP-UHFFFAOYSA-N
logP (XLogP3)3
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 69489 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS05
GHS05

H226 — Flammable liquid and vapour

H314 — Causes severe skin burns and eye damage

Scientific literature

Brak articles naukowych dla CAS 638-41-5 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
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
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Pentyl chloroformate · 638-41-5
InChIKey
XHRRYUDVWPPWIP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Pentyl chloroformate (CAS 638-41-5)
License & provenance record
Pentyl chloroformate (CAS 638-41-5) →
MolGod molecule record
Pentyl chloroformate →
Source data
PubChem CID 69489 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
93ac2977f25757248615df7b803d77421e334c3457310ea5d30eb22025f0b2fc
MD5 (STL)
e21d7d4e19725db8f7f3ee1144a2220c
MolGod Identification Number
MG_850-483-861-43
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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