5-Bromo-1-indanone - ≥98% , CAS No.34598-49-7

CAS: 34598-49-7 Cat. No.: B103113 Formula: C₉H₇BrO Peso molecolare: 211.06 Numero EC: 629-357-6

GRADE & PURITY ≥98%

Synonyms

F8889-9239 | AC-172 | InChI=1/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H | A822312 | Z318770638 | AKOS000121932 | 5-bromoindane-1-one | 5-Bromo indanone | 5-bromo-indan-1-one | 5-bromoindan-1-one | 5-bromo-2,3-dihydroinden-1-one | SY001016 | BCP044

Storage

Room temperature

Shipped In

Normal

Panoramica

5-Bromo-1-indanone is a 1-indanone derivative.Its physical properties like density, freezing point and refractive index have been determined.It participates in the synthesis of the imidazolyl and triazolyl substituted biphenyl compounds

Specifications

Sinonimi

F8889-9239 | AC-172 | InChI=1/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H | A822312 | Z318770638 | AKOS000121932 | 5-bromoindane-1-one | 5-Bromo indanone | 5-bromo-indan-1-one | 5-bromoindan-1-one | 5-bromo-2,3-dihydroinden-1-one | SY001016 | BCP044

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488190073

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190073

Sorrisi canonici

C1CC(=O)C2=C1C=C(C=C2)Br

IUPAC Name

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

InChIKey

KSONICAHAPRCMV-UHFFFAOYSA-N

INCHI

1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

Isomeri SMILES

C1CC(=O)C2=C1C=C(C=C2)Br

WGK Germania

3

Peso molecolare

211.06

Reaxy-Rn

2357199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2357199&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 126-129°C
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 34598-49-7, the molecular formula is C9H7BrO, and the molecular weight is 211.06 g/mol. InChIKey KSONICAHAPRCMV-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.