3',5'-Dibromo-4'-hydroxyacetophenone - ≥97%(GC) , CAS No.2887-72-1

CAS: 2887-72-1 Cat. No.: D156030 Fórmula: C₈H₆Br₂O₂ Peso molecular: 293.94 Beilstein Registry Number: 8(4)352 Número EC: 220-750-4

CALIDAD & PUREZA ≥97%(GC)

Synonyms

3 inverted exclamation marka,5 inverted exclamation marka-Dibromo-4 inverted exclamation marka-hydroxyacetophenone | SCHEMBL1191399 | BD3UAE9GSQ | J-017309 | EN300-1276827 | ZNWPTJSBHHIXLJ-UHFFFAOYSA-N | 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one | 1-(3,5

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Introduction

3′,5′-Dibromo-4′-hydroxyacetophenone (3,5-dibromo-4-hydroxyacetophenone) can be obtained from 4-hydroxyacetophenone, via bromination by N-bromosuccinimide in the presence of LiClO4-SiO2.

Especificaciones

Sinónimos

3 inverted exclamation marka,5 inverted exclamation marka-Dibromo-4 inverted exclamation marka-hydroxyacetophenone | SCHEMBL1191399 | BD3UAE9GSQ | J-017309 | EN300-1276827 | ZNWPTJSBHHIXLJ-UHFFFAOYSA-N | 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one | 1-(3,5

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

504755031

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755031

Sonrisas canónicas

CC(=O)C1=CC(=C(C(=C1)Br)O)Br

IUPAC Name

1-(3,5-dibromo-4-hydroxyphenyl)ethanone

InChIKey

ZNWPTJSBHHIXLJ-UHFFFAOYSA-N

INCHI

1S/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3

Isómeros SMILES

CC(=O)C1=CC(=C(C(=C1)Br)O)Br

WGK Alemania

3

Peso molecular

293.94

Beilstein

8(4)352

Reaxy-Rn

2211014

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211014&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones O-bromophenols Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - 2-halophenol - 2-bromophenol - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 182-187 °C
• Peso molecular: 293.940 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 293.871 Da
• Monoisotopic Mass: 291.873 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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

Preguntas frecuentes

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2887-72-1, the molecular formula is C8H6Br2O2, and the molecular weight is 293.94 g/mol. InChIKey ZNWPTJSBHHIXLJ-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.