68841-21-4

Basic information

• Product Name: hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one
• Synonyms: hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one
• CAS NO: 68841-21-4
• Molecular Formula: C₁₃H₁₆N₂O₃
• Molecular Weight: 248.27774
• EINECS: 272-439-8
• Mol File: 68841-21-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 480.7°Cat760mmHg
• Flash Point: 244.5°C
• Appearance: /
• Density: 1.2g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.56
• PKA: 16.10±0.40(Predicted)
• CAS DataBase Reference: hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one(68841-21-4)
• EPA Substance Registry System: hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one(68841-21-4)

Safety Data

• Hazardous Substances Data: 68841-21-4(Hazardous Substances Data)

Usage

General Description

Hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one is a chemical compound with a molecular structure containing a six-membered ring with a nitrogen atom and a carbonyl group attached. It is also known as nitrapyrin and is used as a nitrification inhibitor in agriculture to slow down the conversion of ammonium to nitrate in soil, therefore reducing nitrogen loss and improving fertilizer efficiency. Nitrapyrin is a yellow solid with nitrophenyl and azepinone functional groups, and its chemical properties make it a valuable tool for sustainable crop production and environmental protection.

InChI:InChI=1/C13H16N2O3/c16-13-4-2-1-3-11(14-13)9-10-5-7-12(8-6-10)15(17)18/h5-8,11H,1-4,9H2,(H,14,16)

Downstream Products

• 68840-88-0 2-(4-aminobenzyl)perhydroazepine 

Relevant articles and documents

Central nervous system active compounds. II. The synthesis of some 4-, 5-, 6- and 7- substituted caprolactams

-