94998-42-2

Basic information

• Product Name: 1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-N,N-diethyl-1-oxohexan-2-aminium 2,4,6-trinitrophenolate
• CAS NO: 94998-42-2
• Molecular Formula: C₂₁H₃₀N₆O₉
• Molecular Weight: 510.4977
• Mol File: 94998-42-2.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 417.3°C at 760 mmHg
• Flash Point: 206.2°C
• Vapor Pressure: 3.57E-07mmHg at 25°C
• CAS DataBase Reference: 1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-N,N-diethyl-1-oxohexan-2-aminium 2,4,6-trinitrophenolate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-N,N-diethyl-1-oxohexan-2-aminium 2,4,6-trinitrophenolate(94998-42-2)
• EPA Substance Registry System: 1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-N,N-diethyl-1-oxohexan-2-aminium 2,4,6-trinitrophenolate(94998-42-2)

Safety Data

• Hazardous Substances Data: 94998-42-2(Hazardous Substances Data)

Usage

Chemical structure

The compound has a complex structure with an oxazol-5-yl amino group, diethylamino group, and the oxohexan-2-aminium moiety, combined with a 2,4,6-trinitrophenolate group.

Oxazol-5-yl amino group

This is a heterocyclic ring containing oxygen and nitrogen atoms, which contributes to the compound's unique properties.

Diethylamino group

This group consists of two ethyl groups attached to a nitrogen atom, which can influence the compound's reactivity and solubility.

Oxohexan-2-aminium moiety

This part of the molecule is a six-carbon chain with an amine group and a ketone group, which can participate in various chemical reactions.

2,4,6-Trinitrophenolate group

This group contains three nitro groups attached to a benzene ring, which can make the compound potentially explosive and hazardous.

Potential applications

Due to its unique structure and properties, the compound has potential applications in pharmaceuticals, explosives, and other industrial fields.

Hazardous nature

The compound should be handled with care due to its potentially hazardous nature, particularly because of the presence of the 2,4,6-trinitrophenolate group.

Reactivity

The compound's reactivity may be influenced by the presence of various functional groups, such as the oxazol-5-yl amino group, diethylamino group, and the oxohexan-2-aminium moiety.

Solubility

The presence of the diethylamino group may affect the compound's solubility in different solvents, which can be important for its applications and handling.

Stability

The compound's stability may be affected by factors such as temperature, pressure, and the presence of other chemicals, which should be considered when handling and storing the compound.