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Nitrocefin

Also known as: Nitrocefin, 3-[(E)-2-(2,4-Dinitrophenyl)vinyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(2,4-Dinitrostyryl)-(6R,7R)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid, E-isomer, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(1E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7R)-

Nitrocefin (CAS 41906-86-9) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C21H16N4O8S2 and a molecular weight of 516.504 g/mol. Key properties include a melting point of >99℃, a boiling point of 872.0±65.0 °C at 760 mmHg, a density of 1.7±0.1 g/cm3 and a flash point of 481.2±34.3 °C. No supplier offers are currently listed; request a quote. Record last updated Nov 3, 2026.

CAS No.
41906-86-9
Jingsj CID
J-42834-1
Molecular Formula
C21H16N4O8S2
Molecular Weight
516.504 g/mol
Category
Pharma Intermediates
Last updated
11/3/2026

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Physicochemical Properties

Melting Point>99℃
Boiling Point872.0±65.0 °C at 760 mmHg
Density1.7±0.1 g/cm3
Flash Point481.2±34.3 °C
Exact Mass516.040955
PSA231.89000
LogP1.04
Vapor Pressure0.0±0.3 mmHg at 25°C
Refractive Index1.749

Activity & Biological Data

Additional Information[1]. Shannon K, Phillips I. beta-Lactamase detection by three simple methods: Intralactam, nitrocefin and acidimetric. J Antimicrob Chemother. 1980 Sep;6(5):617-21.

Frequently Asked Questions

What is the CAS number of Nitrocefin?

The CAS number of Nitrocefin is 41906-86-9.

What are the molecular formula and molecular weight of Nitrocefin?

Nitrocefin has molecular formula C21H16N4O8S2 and molecular weight 516.504 g/mol.

What are the upstream and downstream products of Nitrocefin?

For Nitrocefin, Upstream Products: 2-Thiopheneacetyl chloride.

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

Last updated:

How to cite: Jingsj. "Nitrocefin (CAS 41906-86-9)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-42834-1 (accessed 2026-11-07).

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