GRADE & PURITY ≥98%

Synonyms

Ethanone, 2-bromo-1-[4-(phenylazo)phenyl]- | SCHEMBL571677 | 2-bromo-1-(4-phenyldiazenylphenyl)ethanone | AKOS025295559 | DTXSID0069595 | 2-Bromo-4'-phenylazoacetophenone | AS-79121 | 2-Bromo-1-(4-(phenyldiazenyl)phenyl)ethanone | MFCD00017875

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

Ethanone, 2-bromo-1-[4-(phenylazo)phenyl]- | SCHEMBL571677 | 2-bromo-1-(4-phenyldiazenylphenyl)ethanone | AKOS025295559 | DTXSID0069595 | 2-Bromo-4'-phenylazoacetophenone | AS-79121 | 2-Bromo-1-(4-(phenyldiazenyl)phenyl)ethanone | MFCD00017875

Specifications & Purity

≥98%

Storage

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

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr
• IUPAC Name: 2-bromo-1-(4-phenyldiazenylphenyl)ethanone
• InChIKey: ZXTGCMLCYPYCID-UHFFFAOYSA-N
• INCHI: 1S/C14H11BrN2O/c15-10-14(18)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2
• Isomeric SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr
• PubChem CID: 112886
• Molecular Weight: 303.16
• Reaxy-Rn: 914273

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Azo compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

Chemical and Physical Properties

• Sensitivity: light & air sensitive
• Melt Point(°C): 104 °C
• Molecular Weight: 303.150 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.005 Da
• Monoisotopic Mass: 302.005 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 292.000
• 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