16757-47-4

Basic information

• Product Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol
• Synonyms: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol
• CAS NO: 16757-47-4
• Molecular Formula: C32H39Cl4N5O3
• Molecular Weight: 683.5
• Mol File: 16757-47-4.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 738.1°Cat760mmHg
• Flash Point: 400.2°C
• Appearance: /
• Density: 1.347g/cm³
• Vapor Pressure: 1.59E-22mmHg at 25°C
• Refractive Index: 1.642
• PKA: 6.97±0.30(Predicted)
• CAS DataBase Reference: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol(16757-47-4)
• EPA Substance Registry System: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol(16757-47-4)

Safety Data

• Hazardous Substances Data: 16757-47-4(Hazardous Substances Data)

Usage

General Description

2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol is a complex chemical compound that contains multiple functional groups. It consists of a diazinane ring, a nitrophenol group, and a bis(2-chloroethyl)amino group, which are all connected through a series of benzene rings. The compound is highly polar and insoluble in water, but soluble in organic solvents. It is also classified as a potential carcinogen and mutagen, and has been used in the development of anticancer drugs due to its ability to inhibit DNA synthesis. Additionally, the compound is known for its toxic and harmful effects on living organisms and the environment, and should be handled with caution.

InChI:InChI=1/C32H39Cl4N5O3/c33-12-18-37(19-13-34)27-6-2-25(3-7-27)23-39-16-1-17-40(32(39)30-22-29(41(43)44)10-11-31(30)42)24-26-4-8-28(9-5-26)38(20-14-35)21-15-36/h2-11,22,32,42H,1,12-21,23-24H2