87450-04-2

Basic information

• Product Name: 1-[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]-N-{[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]methyl}-N-methylmethanamine
• CAS NO: 87450-04-2
• Molecular Formula: C₁₇H₂₁Cl₂N₇
• Molecular Weight: 394.3015
• Mol File: 87450-04-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 482.2°C at 760 mmHg
• Flash Point: 245.4°C
• Density: 1.24g/cm³
• Vapor Pressure: 1.87E-09mmHg at 25°C
• Refractive Index: 1.601
• CAS DataBase Reference: 1-[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]-N-{[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]methyl}-N-methylmethanamine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]-N-{[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]methyl}-N-methylmethanamine(87450-04-2)
• EPA Substance Registry System: 1-[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]-N-{[(2E)-3-(4-chlorophenyl)-1-methyltriaz-2-en-1-yl]methyl}-N-methylmethanamine(87450-04-2)

Safety Data

• Hazardous Substances Data: 87450-04-2(Hazardous Substances Data)

Usage

Chemical classification

Amine

Explanation

Different sources of media describe the Explanation of 87450-04-2 differently. You can refer to the following data:
1. The compound contains an amine functional group, which is characterized by a nitrogen atom bonded to one or more carbon atoms.
2. The compound has a triazene group (a six-membered ring with three nitrogen atoms) and a chlorophenyl group (a phenyl group with a chlorine atom substitution).
3. The compound has a specific stereochemistry, with the E (entgegen) configuration indicating the relative positions of the substituents on the double bond.
4. The compound is not found naturally and is created through chemical synthesis.
5. Due to its structural similarity to other biologically active compounds, it may have potential biological activity, which would need to be investigated further.
6. To determine the compound's specific properties, potential uses, and safety information, additional research and testing are necessary.
7. The molecular formula represents the number of carbon (C), hydrogen (H), chlorine (Cl), and nitrogen (N) atoms in the compound.
8. The molecular weight is the sum of the atomic weights of all the atoms in the molecule.
9. The physical appearance of the compound, such as color and state (solid, liquid, or gas), is not provided and would need to be determined through experimentation.
10. The solubility of the compound in various solvents is not provided and would need to be determined through experimentation.

Structural features

Triazene and chlorophenyl functional groups

Stereochemistry

(2E) configuration

Synthetic origin

Synthetic organic molecule

Biological activity

Potential biological activity

Research and testing

Further research and testing required

Molecular weight

Approximately 323.8 g/mol

Appearance

Unknown (requires experimental determination)

Solubility

Unknown (requires experimental determination)

Upstream product

• 50-00-0 formaldehyd 
• 673-41-6 p-chlorobenzenediazonium tetrafluoroborate 
• 74-89-5 methylamine 
• 106-47-8 4-chloro-aniline 

Relevant articles and documents

OPEN-CHAIN NITROGEN COMPOUNDS. PART VI. THE FORMATION OF BIS(1-ARYL-3-METHYLTRIAZEN-3-YLMETHYL) METHYLAMINES IN THE REACTION OF DIAZONIUM IONS WITH MIXTURES OF FORMALDEHYDE AND METHYLAMINE

The synthesis of a series of N,N-bis(1-aryl-3-methyltriazen-3-ylmethyl) methylamines from coupling diazonium salts with mixtures of methylamine and formaldehyde is described.These novel bis-triazenes, or heptazanonadienes, have significant anti-tumour activity against the TLX5 lymphoma in mouse.The mechanism of formation of these triazenes is discussed with reference to the implication to the presumed equilibria taking place in the methylamine/formaldehyde solution.The formation of the bis-triazene is usually accompanied by the formation of a 3-hydroxymethyltriazene, and it has been shown that the hydroxymethyltriazene can be transformed into the bis-triazene.The proportions of the two products are strongly influenced by the relative amounts of methylamine and formaldehyde.Coupling the p-bromobenzenediazonium salt to a 1:1 methylamine/formaldehyde mixture affords mainly the bis-triazene, whereas a 1:50 mixture gives almost totally the hydroxymethyl triazene.These results suggest that the two triazenes arise from diazonium coupling to different species in the amine/formaldehyde mixture; this hypothesis is supported by the formation of identical product mixtures from coupling the diazonium ion with (a) a 1:1 MeNH2/CH2O mixture, and (b) the cyclic trimer of the carbinolamine MeNHCH2OH, and by the identification of a minor product from the reaction of p-chlorobenzenediazonium fluoroborate with MeNH2/CH2O as bis(1-p-chlorophenyl-3-methyltriazen-3-yl) methane.