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

CAS: 125114-77-4 Cat. No.: B345896 Summenformel: C₉H₇OBr Molekulargewicht: 211.05 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504767659
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767659
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CC(=O)C2=C1C=CC=C2Br
• Molekulargewicht: 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
    • Klasse Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 306.5° C at 760 mmHg
• Schmelzpunkt (°C): 73.09° C (Predicted)
• Molekulargewicht: 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

Häufig gestellte Fragen

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.