Hydrazobenzene - ≥95% , CAS No.122-66-7

CAS: 122-66-7 Cat. No.: H431617 Formula: C₁₂H₁₂N₂ Molecular Weight: 184.24 EC Number: 204-563-5

GRADE & PURITY ≥95%

Synonyms

(sym)-Diphenylhydrazine | N,N'-Bianiline | 1,2-diphenyldiazane | Hydrazobenzene | 1,2-DIPHENYLHYDRAZINE | Hydrazobenzen | N,N'-Diphenylhydrazine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Hydrazobenzene has been prepared by the reduction of azobenzene by SmI(2) in THF. Hydrazobenzene is an intermediate in the hydrogenation of azoxybenzene to aniline.

Application

Reactant involved in: Insertion reactions with organometallic tantalum complexes Reduction reactions catalyzed by titanium(III) trichloride yielding amines Studying the mechanism of hydrazobenzene rearrangement Reaction with N -heterocyclic stable silylene Synthesis of dimanganese amide hydrazide cluster complexes Iron-mediated hydrazine reductions yielding iron arylimide cubanes

Other Notes

Contains varying amounts of azobenzene

Specifications

Synonyms

(sym)-Diphenylhydrazine | N,N'-Bianiline | 1,2-diphenyldiazane | Hydrazobenzene | 1,2-DIPHENYLHYDRAZINE | Hydrazobenzen | N,N'-Diphenylhydrazine

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 508813969
• Canonical Smiles: C1=CC=C(C=C1)NNC2=CC=CC=C2
• IUPAC Name: 1,2-diphenylhydrazine
• InChIKey: YBQZXXMEJHZYMB-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
• Isomeric SMILES: C1=CC=C(C=C1)NNC2=CC=CC=C2
• WGK Germany: 3
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 184.24
• Reaxy-Rn: 639793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Hydrazine derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CTSD Tchem Cathepsin D (1 Activities)

Discover Target: CTSD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CTSD Tchem Cathepsin D (3201 Activities)

Discover Target: CTSD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

PMII Plasmepsin 2 (774 Activities)

Discover Target: PMII

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive；Air sensitive；Heat sensitive
• Melt Point(°C): 123-126 °C (lit.)
• Molecular Weight: 184.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.1 Da
• Monoisotopic Mass: 184.1 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1