1,3-Diisocyanatobenzene

1,3-Diisocyanatobenzene is a chemical compound registered under number CAS 123-61-5, with the molecular formula C₈H₄N₂O₂, and a molar mass of 160.13 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 1,3-diisocyanatobenzene. 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 = 3.5 (positive value, a lipophilic compound), polar surface area PSA = 58.9 Ų, 0 donors and 4 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/.

Signal word: Danger

H302 — Harmful if swallowed

H312 — Harmful in contact with skin

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H332 — Harmful if inhaled

H334 — May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 — May cause respiratory irritation

Brak articles naukowych dla CAS 123-61-5 w PubMed / OpenAlex / Semantic Scholar.

• 📊 PubChem CID 31262 — NIH
• 🔬 NIST WebBook — spectroscopy
• 💊 ChEMBL — bioactivity