2-Bromo-4'-phenylacetophenone - ≥98%(HPLC) , CAS No.135-73-9

CAS: 135-73-9 Cat. No.: B152123 Formula: C₁₄H₁₁BrO Molecular Weight: 275.15 Beilstein Registry Number: 513838 EC Number: 205-217-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-bromo-1-(biphen-4-yl)-ethan-1-one | PD136237 | SCHEMBL316871 | Ethanone,1-[1,1'-biphenyl]-4-yl-2-bromo- | F9995-0585 | 1-(biphenyl-4-yl)-2-bromoethanone | 1-(4-biphenylyl)-2-bromoethanone | XRZ97JC5PS | 4'-phenyl-2-bromoacetophenone | 1-Biphenyl-4-yl-2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-bromo-1-(biphen-4-yl)-ethan-1-one | PD136237 | SCHEMBL316871 | Ethanone,1-[1,1'-biphenyl]-4-yl-2-bromo- | F9995-0585 | 1-(biphenyl-4-yl)-2-bromoethanone | 1-(4-biphenylyl)-2-bromoethanone | XRZ97JC5PS | 4'-phenyl-2-bromoacetophenone | 1-Biphenyl-4-yl-2-

Specifications & Purity

≥98%(HPLC)

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504754142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754142
• Canonical Smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
• IUPAC Name: 2-bromo-1-(4-phenylphenyl)ethanone
• InChIKey: KGHGZRVXCKCJGX-UHFFFAOYSA-N
• INCHI: 1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
• WGK Germany: 3
• Molecular Weight: 275.15
• Beilstein: 513838
• Reaxy-Rn: 513838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=513838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Biphenyls and derivatives Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Biphenyl - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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)

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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
• x_melt_point_char: 125 °C
• Molecular Weight: 275.140 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 273.999 Da
• Monoisotopic Mass: 273.999 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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 HPLC. 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 135-73-9, the molecular formula is C14H11BrO, and the molecular weight is 275.15 g/mol. InChIKey KGHGZRVXCKCJGX-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.