2-Acetyl-7-bromofluorene - ≥98% , CAS No.34172-50-4

CAS: 34172-50-4 Cat. No.: A405626 Fórmula: C₁₅H₁₁BrO Peso molecular: 287.16 Número CE: 833-547-6

GRAU & PUREZA ≥98%

Synonyms

MFCD00114651 | T70801 | AKOS025296046 | SCHEMBL5048102 | 1-(7-BROMO-9H-FLUOREN-2-YL)ETHAN-1-ONE | DTXSID10955714 | NSC113305 | NSC-113305 | 2-acetyl-7-bromofluorene | 1-(7-bromo-9h-fluoren-2-yl)ethanone | 1-(7-bromo-9H-fluoren-2-yl)-ethanone | KHWBLOWMPKT

Storage

Room temperature

Visão geral

Maximum Absorption Wavelength:317(2-Propanol)nm

Especificações

Sinónimos

MFCD00114651 | T70801 | AKOS025296046 | SCHEMBL5048102 | 1-(7-BROMO-9H-FLUOREN-2-YL)ETHAN-1-ONE | DTXSID10955714 | NSC113305 | NSC-113305 | 2-acetyl-7-bromofluorene | 1-(7-bromo-9h-fluoren-2-yl)ethanone | 1-(7-bromo-9H-fluoren-2-yl)-ethanone | KHWBLOWMPKT

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528756287

Sorrisos canónicos

CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)Br

IUPAC Name

1-(7-bromo-9H-fluoren-2-yl)ethanone

InChIKey

KHWBLOWMPKTMRI-UHFFFAOYSA-N

INCHI

1S/C15H11BrO/c1-9(17)10-2-4-14-11(6-10)7-12-8-13(16)3-5-15(12)14/h2-6,8H,7H2,1H3

SMILES isoméricas

CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)Br

Peso molecular

287.16

Reaxy-Rn

1969775

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1969775&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Acetophenones Aryl alkyl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Acetophenone - 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
• Descrição: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 144 °C
• Peso molecular: 287.150 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 285.999 Da
• Monoisotopic Mass: 285.999 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 314.000
• 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