Azoxybenzene - ≥98%(GC) , CAS No.495-48-7

CAS: 495-48-7 Cat. No.: A140451 Formula: C₁₂H₁₀N₂O Molecular Weight: 198.23 Beilstein Registry Number: 743984 EC Number: 207-802-1

GRADE & PURITY ≥98%(GC)

Synonyms

[(Z)-phenyl-NNO-azoxy]benzene | cis-azoxybenzene | Fenazox [German] | Azoxybenzene, (E)- | Benzene, azoxydi- | 1,2-Diphenyldiazene oxide | AKOS006228960 | Azoxybenzol [German] | Azossibenzene [Italian] | Azoxybenzene cis-form [MI] | CCRIS 5965 | HSDB 2861

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

[(Z)-phenyl-NNO-azoxy]benzene | cis-azoxybenzene | Fenazox [German] | Azoxybenzene, (E)- | Benzene, azoxydi- | 1,2-Diphenyldiazene oxide | AKOS006228960 | Azoxybenzol [German] | Azossibenzene [Italian] | Azoxybenzene cis-form [MI] | CCRIS 5965 | HSDB 2861

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504751929

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751929

Canonical Smiles

C1=CC=C(C=C1)N=[N+](C2=CC=CC=C2)[O-]

IUPAC Name

oxido-phenyl-phenyliminoazanium

InChIKey

GAUZCKBSTZFWCT-UHFFFAOYSA-N

INCHI

1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H

Isomeric SMILES

C1=CC=C(C=C1)N=[N+](C2=CC=CC=C2)[O-]

WGK Germany

1

RTECS

CO4025000

Molecular Weight

198.23

Beilstein

743984

Reaxy-Rn

743984

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743984&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Azoxy compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Azoxy compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: azoxy compound

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

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Boil Point(°C): 130°C/0.9mmHg
• Melt Point(°C): 34.0-38.0°C
• Molecular Weight: 198.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.079 Da
• Monoisotopic Mass: 198.079 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 216.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 495-48-7, the molecular formula is C12H10N2O, and the molecular weight is 198.23 g/mol. InChIKey GAUZCKBSTZFWCT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.