4-Fluorobenzophenone - ≥99% , CAS No.345-83-5

CAS: 345-83-5 Cat. No.: F156636 Fórmula: C₁₃H₉FO Peso molecular: 200.21 Beilstein Registry Number: 7(1)226 Número CE: 206-463-7

GRADE & PURITY ≥99%

Synonyms

BRD-K22255991-001-01-8 | Methanone, (4-fluorophenyl)phenyl- | p-Fluorbenzophenon | EN300-19553 | p-Fluorophenyl phenyl ketone | NSC88321 | NSC-88321 | EINECS 206-463-7 | F0161 | AS-10881 | NSC 88321 | (4-Fluorophenyl)(phenyl)methanone | SY048330 | p-Fluor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BRD-K22255991-001-01-8 | Methanone, (4-fluorophenyl)phenyl- | p-Fluorbenzophenon | EN300-19553 | p-Fluorophenyl phenyl ketone | NSC88321 | NSC-88321 | EINECS 206-463-7 | F0161 | AS-10881 | NSC 88321 | (4-Fluorophenyl)(phenyl)methanone | SY048330 | p-Fluor

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488183981

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183981

Sorrisos canónicos

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F

IUPAC Name

(4-fluorophenyl)-phenylmethanone

InChIKey

OGTSHGYHILFRHD-UHFFFAOYSA-N

INCHI

1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

SMILES isoméricas

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F

WGK Alemanha

3

Peso molecular

200.21

Beilstein

7(1)226

Reaxy-Rn

1869800

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869800&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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 inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 161°C/13mmHg(lit.)
• Ponto de fusão (°C): 49 °C
• Peso molecular: 200.210 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.064 Da
• Monoisotopic Mass: 200.064 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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