5,7-Dibromo-1-indanone - ≥97% , CAS No.923977-18-8

CAS: 923977-18-8 Cat. No.: D469858 Formula: C₉H₆OBr₂ Peso molecolare: 289.95 Numero EC: 663-789-6

GRADE & PURITY ≥97%

Synonyms

5,7-Dibromo-1-indanone, 97% | YLB97718 | DS-10015 | MFCD11707100 | AKOS025403202 | DTXSID90581297 | 5,7-Dibromo-1-indanone | 5,7-dibromo-2,3-dihydroinden-1-one | A844222 | 5,7-dibromoindan-1-one;5,7-DIBROMO-1-INDANONE | 5,7-dibromo-2,3-dihydro-1H-inden-1-

Storage

Room temperature

Specifications

Sinonimi

5,7-Dibromo-1-indanone, 97% | YLB97718 | DS-10015 | MFCD11707100 | AKOS025403202 | DTXSID90581297 | 5,7-Dibromo-1-indanone | 5,7-dibromo-2,3-dihydroinden-1-one | A844222 | 5,7-dibromoindan-1-one;5,7-DIBROMO-1-INDANONE | 5,7-dibromo-2,3-dihydro-1H-inden-1-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488199021

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199021

Sorrisi canonici

C1CC(=O)C2=C1C=C(C=C2Br)Br

IUPAC Name

5,7-dibromo-2,3-dihydroinden-1-one

InChIKey

WLRPGDOWFWBUAE-UHFFFAOYSA-N

INCHI

1S/C9H6Br2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2

Isomeri SMILES

C1CC(=O)C2=C1C=C(C=C2Br)Br

Peso molecolare

289.95

Reaxy-Rn

10536174

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10536174&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 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
• 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

• Punto di fusione (°C): 143-147 °C
• Peso molecolare: 289.950 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 289.876 Da
• Monoisotopic Mass: 287.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 205.000
• 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