Furfural

CAS 98-01-1  ·  C5H4O2  ·  MW 96.08 g/mol

Full record: Furfural — Safety Data Sheet →

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3D model Furfural, CAS 98-01-1, molecular formula C5H4O2, molar mass 96.08 g/mol

Model views

  • Furfural (CAS 98-01-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Furfural (CAS 98-01-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Furfural (CAS 98-01-1) – 2D structure, MolGod Viewer
    2D structure

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About Furfural

Furfural is a chemical compound registered under number CAS 98-01-1, with the molecular formula C5H4O2, and a molar mass of 96.08 g/mol.

The molecule contains 11 atoms connected by 11 chemical bonds. The full systematic IUPAC name of this compound is furan-2-carbaldehyde. 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 = 0.4 (positive value, a lipophilic compound), polar surface area PSA = 30.2 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 formulaC5H4O2
Molar mass96.08 g/mol
IUPACfuran-2-carbaldehyde
SMILESC1=COC(=C1)C=O
InChIKeyHYBBIBNJHNGZAN-UHFFFAOYSA-N
logP (XLogP3)0.4
PSA30.2 Ų
HBD / HBA0 / 2
PubChem CIDCID 7362 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS07
GHS07
GHS08
GHS08

H351 — Suspected of causing cancer

H331 — Toxic if inhaled

H312 — Harmful in contact with skin

H301 — Toxic if swallowed

H335 — May cause respiratory irritation

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Related literature

8 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 8)

2023: number of articles 220232024: number of articles 42025: number of articles 120252026: number of articles 12026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
FURFURAL · 2-Furaldehyde · furan-2-carbaldehyde · 98-01-1 · 2-Furancarboxaldehyde · Furaldehyde · Furfuraldehyde · 2-Formylfuran · Fural · 2-Furanaldehyde · 2-Furancarbonal · 2-Furfuraldehyde · 2-Furfural · Furfurylaldehyde · Furol
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Furfural · 98-01-1
InChIKey
HYBBIBNJHNGZAN-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Furfural (CAS 98-01-1)
License & provenance record
Furfural (CAS 98-01-1) →
MolGod molecule record
Furfural →
Source data
PubChem CID 7362 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b25df2003235efb077f1f3cb3199f8b578b75ab05fb49b1a126b70116e4b32b9
MD5 (STL)
8063fc1d181cbd87b12b6a3f8e0138e7
MolGod Identification Number
MG_929-814-042-67
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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