(4-Bromophenyl)(cyclopropyl)methanone - ≥97% , CAS No.6952-89-2

CAS: 6952-89-2 Cat. No.: B589914 Fórmula: C₁₀H₉BrO Peso molecular: 225.09 Número EC: 230-130-5

GRADE & PURITY ≥97%

Synonyms

AKOS005070089 | (4-Bromophenyl)(cyclopropyl)ketone | Imiprothrin [ISO] | NSC70846 | NSC-70846 | Glucosyl-ifosfamide mustard | Ethyl5-chloro-1,3,4-thiadiazole-2-carboxylate | 2X-0304 | FT-0617913 | SCHEMBL13463 | (4-bromophenyl)(cyclopropyl)methanone | (4-

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS005070089 | (4-Bromophenyl)(cyclopropyl)ketone | Imiprothrin [ISO] | NSC70846 | NSC-70846 | Glucosyl-ifosfamide mustard | Ethyl5-chloro-1,3,4-thiadiazole-2-carboxylate | 2X-0304 | FT-0617913 | SCHEMBL13463 | (4-bromophenyl)(cyclopropyl)methanone | (4-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Desiccated,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504755526

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755526

Sonrisas canónicas

C1CC1C(=O)C2=CC=C(C=C2)Br

IUPAC Name

(4-bromophenyl)-cyclopropylmethanone

InChIKey

QTHHOINSCNBYQO-UHFFFAOYSA-N

INCHI

1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

Isómeros SMILES

C1CC1C(=O)C2=CC=C(C=C2)Br

Peso molecular

225.09

Reaxy-Rn

2044846

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044846&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: Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - 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 ebullición (°C): 204 °C/10 mmHg
• Punto de fusión (°C): 40.0 to 44.0 °C
• Peso molecular: 225.080 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.984 Da
• Monoisotopic Mass: 223.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 178.000
• 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?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 6952-89-2, the molecular formula is C10H9BrO, and the molecular weight is 225.09 g/mol. InChIKey QTHHOINSCNBYQO-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.