Nitecapone

Also known as: OR-462, OR 462, OR462, 3-[(3,4-dihydroxy-5-nitrophenyl)methylene]pentane-2,4-dione, 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione, 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione

Nitecapone (CAS 116313-94-1) is a compound in the Organic Compounds category listed in the Jingsj chemical database. It has the molecular formula C12H11NO6 and a molecular weight of 265.21900 g/mol. Key properties include a boiling point of 495.3ºC at 760 mmHg, a density of 1.451g/cm3 and a flash point of 211.6ºC. It is classified under GHS with signal word Danger and hazard statements H301 — Toxic if swallowed. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 116313-94-1
Jingsj CID: J-89534-1
Molecular Formula: C₁₂H₁₁NO₆
Molecular Weight: 265.21900 g/mol
Category: Organic Compounds
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	495.3ºC at 760 mmHg
Density	1.451g/cm3
Flash Point	211.6ºC
Exact Mass	265.05900
PSA	120.42000
LogP	2.09060
Vapor Pressure	1.95E-10mmHg at 25°C
Refractive Index	1.645

GHS Safety & Compliance

Acute ToxicitySignal word: Danger

H301 — Toxic if swallowed

Activity & Biological Data

Additional Information	[1]. Y J Suzuki, et al. Antioxidant properties of nitecapone (OR-462). Free Radic Biol Med. 1992 Nov;13(5):517-25. [2]. Marcocci L, et al. Nitecapone: a nitric oxide radical scavenger. Biochemistry and Molecular Biology International, 01 Oct 1994, 34(3):531-541. [3]. Oleg Kambur, et al. Nitecapone reduces development and symptoms of neuropathic pain after spinal nerve ligation in rats. Eur J Pain. 2011 Aug;15(7):732-40.

Additional Information

[1]. Y J Suzuki, et al. Antioxidant properties of nitecapone (OR-462). Free Radic Biol Med. 1992 Nov;13(5):517-25. [2]. Marcocci L, et al. Nitecapone: a nitric oxide radical scavenger. Biochemistry and Molecular Biology International, 01 Oct 1994, 34(3):531-541. [3]. Oleg Kambur, et al. Nitecapone reduces development and symptoms of neuropathic pain after spinal nerve ligation in rats. Eur J Pain. 2011 Aug;15(7):732-40.

Frequently Asked Questions

What is the CAS number of Nitecapone?

The CAS number of Nitecapone is 116313-94-1.

What are the molecular formula and molecular weight of Nitecapone?

Nitecapone has molecular formula C12H11NO6 and molecular weight 265.21900 g/mol.

Is Nitecapone hazardous?

Nitecapone has GHS signal word Danger and hazard statements H301 — Toxic if swallowed.

What are the upstream and downstream products of Nitecapone?

For Nitecapone, Upstream Products: 3,4-Dihydroxy-5-nitrobenzaldehyde, 2,4-Pentanedione.

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. "Nitecapone (CAS 116313-94-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-89534-1 (accessed 2026-11-09).

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