3-Bromo-1-indanone - ≥95% , CAS No.40774-41-2

CAS: 40774-41-2 Cat. No.: B184388 Formula: C₉H₇BrO Peso molecolare: 211.1

GRADE & PURITY ≥95%

Synonyms

AKOS016007559 | FT-0703562 | SCHEMBL3696925 | 3-Bromo-1-indanone | A6805 | 3-bromo-indan-1-one | 3-Bromoindan-1-one | 1H-Inden-1-one, 3-bromo-2,3-dihydro- | 3-bromo-2,3-dihydroinden-1-one | 3-Bromo-2,3-dihydro-1H-inden-1-one | MB07683 | DTXSID10471727 | M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

AKOS016007559 | FT-0703562 | SCHEMBL3696925 | 3-Bromo-1-indanone | A6805 | 3-bromo-indan-1-one | 3-Bromoindan-1-one | 1H-Inden-1-one, 3-bromo-2,3-dihydro- | 3-bromo-2,3-dihydroinden-1-one | 3-Bromo-2,3-dihydro-1H-inden-1-one | MB07683 | DTXSID10471727 | M

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504766698

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766698

Sorrisi canonici

C1C(C2=CC=CC=C2C1=O)Br

IUPAC Name

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

InChIKey

BSAIUCUXHVGXNK-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1C(C2=CC=CC=C2C1=O)Br

Peso molecolare

211.1

Reaxy-Rn

2088437

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2088437&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 Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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

Proprietà chimiche e fisiche

• Peso molecolare: 211.050 g/mol
• XLogP3: 2.000
• 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: 1
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 40774-41-2, the molecular formula is C9H7BrO, and the molecular weight is 211.1 g/mol. InChIKey BSAIUCUXHVGXNK-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.