Isoxazole-3-carbonitrile

Also known as: 1,2-oxazole-3-carbonitrile, 3-cyanoisoxazole, 3-Isoxazolecarbonitrile, Cyano-isoxazole

Isoxazole-3-carbonitrile (CAS 68776-57-8) is a compound in the Nitrogen Compounds category listed in the Jingsj chemical database. It has the molecular formula C4H2N2O and a molecular weight of 94.07150 g/mol. Key properties include a boiling point of 226.8ºC at 760 mmHg, a density of 1.25 g/cm3 and a flash point of 91ºC. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 68776-57-8
Jingsj CID: J-1148872-1
Molecular Formula: C₄H₂N₂O
Molecular Weight: 94.07150 g/mol
Category: Nitrogen Compounds
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	226.8ºC at 760 mmHg
Density	1.25 g/cm3
Flash Point	91ºC
Exact Mass	94.01670
PSA	49.82000
LogP	0.54628

Customs & Trade Information

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Frequently Asked Questions

What is the CAS number of Isoxazole-3-carbonitrile?

The CAS number of Isoxazole-3-carbonitrile is 68776-57-8.

What are the molecular formula and molecular weight of Isoxazole-3-carbonitrile?

Isoxazole-3-carbonitrile has molecular formula C4H2N2O and molecular weight 94.07150 g/mol.

What are the upstream and downstream products of Isoxazole-3-carbonitrile?

For Isoxazole-3-carbonitrile, Upstream Products: 5-Ethoxy-4,5-dihydroisoxazole-3-carbonitrile, acetic acid, Acetylene; Downstream Products: 1-(3-Isoxazolyl)ethanone.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Isoxazole-3-carbonitrile (CAS 68776-57-8)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1148872-1 (accessed 2026-11-07).

Data for reference only; verify product details with suppliers before purchase.