(E)-1-(4-isocyanatophenyl)-2-phenyldiazene(SALTDATA|321951-62-6,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]

Tris(dibenzylideneacetone)dipalladium

C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(E)-1-(4-isocyanatophenyl)-2-phenyldiazene(SALTDATA

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Chemical Name:	(E)-1-(4-isocyanatophenyl)-2-phenyldiazene(SALTDATA
CAS Number:	321951-62-6
Product Number:	AG00C8EK(AGN-PC-0WB5OC)
Synonyms:
MDL No:	MFCD00152743
Molecular Formula:	C13H9N3O
Molecular Weight:	223.2301

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Computed Properties

Molecular Weight:

223.235g/mol

XLogP3:

4.9

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

223.075g/mol

Monoisotopic Mass:

223.075g/mol

Topological Polar Surface Area:

54.2A^2

Heavy Atom Count:

Formal Charge:

Complexity:

296

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Danger

UN#:

2206

Hazard Statements:

H301+H331-H315-H318-H317-H334-H335

Precautionary Statements:

P501-P261-P272-P270-P271-P264-P280-P284-P302+P352-P342+P311-P362+P364-P333+P313-P301+P310+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405

Class:

6.1

Packing Group:

Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure

(E)-1-(4-Isocyanatophenyl)-2-phenyldiazene is a versatile compound used in chemical synthesis for its unique properties in catalyzing various reactions. This compound serves as a valuable reagent in organic synthesis, particularly in the formation of azo compounds and as a key intermediate in the preparation of heterocyclic compounds. Its ability to act as a diazene source enables the introduction of the diazenyl functionality into organic molecules, leading to the synthesis of diverse compounds with potential applications in pharmaceuticals, materials science, and agrochemicals. Additionally, (E)-1-(4-Isocyanatophenyl)-2-phenyldiazene is utilized in the development of novel coordination complexes and organometallic compounds, contributing to advancements in the field of inorganic chemistry. This compound plays a crucial role in the creation of complex molecular architectures and serves as a building block for the design of functional materials with tailored properties. By incorporating (E)-1-(4-Isocyanatophenyl)-2-phenyldiazene into synthetic strategies, researchers can access a wide range of chemical transformations, facilitating the discovery of new molecules with enhanced reactivity and potential applications in various scientific disciplines.