2-Bromo-3′-chloroacetophenone - ≥96% , CAS No.41011-01-2

CAS: 41011-01-2 Cat. No.: B134157 Formule: C₈H₆BrClO Poids moléculaire: 233.49 Numéro CE: 609-883-2

QUALITÉ & PURETÉ ≥96%

Synonyms

2-bromo-1-(3-chlorophenyl)-1-ethanone | alpha-bromo-m-chloroacetophenone | J-508145 | MFCD00792669 | AM82939 | HSDB 2679 | ACETOPHENONE, 2-BROMO-3'-CHLORO- | Q27284602 | Z104482040 | 2-Bromo-3'-chloroacetophenone, 97% | alpha-Bromo-3-chloroacetophenone |

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Substrate used in a one-step preparation of symmetrical 1,4-diketones in the presence of Zn-I2.

Spécifications

Synonymes

2-bromo-1-(3-chlorophenyl)-1-ethanone | alpha-bromo-m-chloroacetophenone | J-508145 | MFCD00792669 | AM82939 | HSDB 2679 | ACETOPHENONE, 2-BROMO-3'-CHLORO- | Q27284602 | Z104482040 | 2-Bromo-3'-chloroacetophenone, 97% | alpha-Bromo-3-chloroacetophenone |

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504753575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753575

Sourires canoniques

C1=CC(=CC(=C1)Cl)C(=O)CBr

IUPAC Name

2-bromo-1-(3-chlorophenyl)ethanone

InChIKey

KJVRURZDIOVSSQ-UHFFFAOYSA-N

INCHI

1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

Isomères SMILES

C1=CC(=CC(=C1)Cl)C(=O)CBr

WGK Allemagne

3

Poids moléculaire

233.49

Reaxy-Rn

2086002

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086002&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Alpha-haloketones Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organobromide - Organochloride - 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 122-124°
• Point de fusion (°C): 39-43°C
• Poids moléculaire: 233.490 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.929 Da
• Monoisotopic Mass: 231.929 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). 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 41011-01-2, the molecular formula is C8H6BrClO, and the molecular weight is 233.49 g/mol. InChIKey KJVRURZDIOVSSQ-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.