9-(4-Bromophenyl)-9-phenylfluorene - ≥99% , CAS No.937082-81-0

CAS: 937082-81-0 Cat. No.: B398052 Formula: C₂₅H₁₇Br Peso molecolare: 397.32 Numero EC: 823-789-0

GRADE & PURITY ≥99%

Synonyms

9-(4-bromophenyl)-9-phenyl-9H-fluorene | A851705 | B5221 | OL10056 | AKOS027460648 | 9-(4-bromophenyl)-9-phenylfluorene | MFCD28975087 | SB66607 | DS-19143 | SCHEMBL283196 | OOKRYIPMHLUQHU-UHFFFAOYSA-N | F16252

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

9-(4-bromophenyl)-9-phenyl-9H-fluorene | A851705 | B5221 | OL10056 | AKOS027460648 | 9-(4-bromophenyl)-9-phenylfluorene | MFCD28975087 | SB66607 | DS-19143 | SCHEMBL283196 | OOKRYIPMHLUQHU-UHFFFAOYSA-N | F16252

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br

IUPAC Name

9-(4-bromophenyl)-9-phenylfluorene

InChIKey

OOKRYIPMHLUQHU-UHFFFAOYSA-N

INCHI

1S/C25H17Br/c26-20-16-14-19(15-17-20)25(18-8-2-1-3-9-18)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17H

Isomeri SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br

Peso molecolare

397.32

Reaxy-Rn

11053607

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11053607&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: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble (1.6E-6 g/L) (25 ºC)
• Punto di fusione (°C): 153 °C
• Peso molecolare: 397.300 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 396.051 Da
• Monoisotopic Mass: 396.051 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 449.000
• 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