7-Bromo-1-indanone - ≥97% , CAS No.125114-77-4

CAS: 125114-77-4 Cat. No.: B345896 Fórmula: C₉H₇OBr Peso molecular: 211.05 Número EC: 676-073-3

GRADE & PURITY ≥97%

Synonyms

BCP28768 | J-005198 | 7-bromo-indan-1-one | 7-bromoindan-1-one | ZWEODBMKCBWTTQ-UHFFFAOYSA-N | MFCD06796574 | SCHEMBL1150797 | EN300-141198 | AC-23388 | J-519109 | 1H-Inden-1-one, 7-bromo-2,3-dihydro- | FT-0647955 | AKOS015916423 | 7-bromo-2,3-dihydroinde

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BCP28768 | J-005198 | 7-bromo-indan-1-one | 7-bromoindan-1-one | ZWEODBMKCBWTTQ-UHFFFAOYSA-N | MFCD06796574 | SCHEMBL1150797 | EN300-141198 | AC-23388 | J-519109 | 1H-Inden-1-one, 7-bromo-2,3-dihydro- | FT-0647955 | AKOS015916423 | 7-bromo-2,3-dihydroinde

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504767659

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767659

Sonrisas canónicas

C1CC(=O)C2=C1C=CC=C2Br

IUPAC Name

7-bromo-2,3-dihydroinden-1-one

InChIKey

ZWEODBMKCBWTTQ-UHFFFAOYSA-N

INCHI

1S/C9H7BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2

Isómeros SMILES

C1CC(=O)C2=C1C=CC=C2Br

Peso molecular

211.05

Reaxy-Rn

9618554

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9618554&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl bromide - Vinylogous halide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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): 306.5° C at 760 mmHg
• Punto de fusión (°C): 73.09° C (Predicted)
• Peso molecular: 211.050 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.968 Da
• Monoisotopic Mass: 209.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• 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 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 125114-77-4, the molecular formula is C9H7OBr, and the molecular weight is 211.05 g/mol. InChIKey ZWEODBMKCBWTTQ-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.