4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide

Basic Information

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CAS Number

536-71-0

Molecular Formula

C14H15N7

Molecular Weight

281.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

463.3°C at 760 mmHg

SMILES

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C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)

InChIKey

XNYZHCFCZNMTFY-UHFFFAOYSA-N

LogP

2.36554

Topological Polar Surface Area

136.49 Å²

Hydrogen Bond Donor/Acceptor

7 / 7

Complexity

390

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CHEMBL35241
Pirocide
CS-0453371
Berenil (aceturate 2:1)
4,4'-(Diazoamino)benzamidine
AKOS015895569
NSC114835
DIMINAZINE ACETURATE; 1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE
4,4'-(1-Triazene-1,3-diyl)bisbenzenecarboximidamide
Diminazenum [INN-Latin]
Beronal
4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide
berenil
BCP13959
4-[(2E)-2-(4-carbamimidoylphenyl)iminohydrazino]benzamidine
Diminazene [WHO-DD]
4-(2-(4-Carbamimidoylphenyl)iminohydrazinyl)benzenecarboximidamide
DIMINAZEN
536-71-0
Diminazene [INN]
CHEBI:81724
Diminazeno
Benzenecarboximidamide, 4,4'-(1-triazene-1,3-diyl)bis-
GTPL10307
AS-75445
AB01563384_02
DTXSID7043792
NS00011721
Y5G36EEA5Z
UNII-Y5G36EEA5Z
AB01563384_01

MDL Number

MFCD00866606

Customs Code

2927000090

FAQ

What are the physical and chemical properties of 4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide (CAS: 536-71-0)?

4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide is a crystalline compound with a molecular weight of approximately 400.44 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. This compound exhibits moderate reactivity, particularly in the presence of strong acids and bases. It is stable under normal storage conditions but should be handled under an inert atmosphere to prevent degradation.

How is 4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide (CAS: 536-71-0) typically synthesized?

4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide can be synthesized through a multi-step process involving the diimide condensation of 1,3-bis(4-aminophenyl)benzene with a triazole derivative. This synthesis typically requires the use of a microwave reactor and a triphenylphosphine catalyst to enhance the reaction yield. The overall yield is around 80%, and the product is isolated via crystallization from an appropriate solvent.

What industries use 4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide (CAS: 536-71-0)?

4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide is primarily used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in the polymer industry as a precursor for the production of functional polymers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide (CAS: 536-71-0)?

When handling 4,4'-[(1E)-1-Triazene-1,3-diyl]dibenzenecarboximidamide, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a well-ventilated area away from heat and direct sunlight. In case of a spill, it should be handled in a fume hood, and the area should be cleaned up using an appropriate solvent. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.