3-Fluorobenzophenone - ≥98% , CAS No.345-69-7

CAS: 345-69-7 Cat. No.: F578734 Formule: C₁₃H₉FO Poids moléculaire: 200.21 Numéro CE: 642-541-0

GRADE & PURITY ≥98%

Synonyms

m-fluorobenzophenone | (3-Fluorophenyl)(Phenyl)Methanone | AMY31897 | FT-0631993 | A822280 | (3-Fluoro-phenyl)-phenyl-methanone | (3-fluorophenyl)-phenylmethanone | AKOS005258040 | AS-40392 | SCHEMBL3834026 | DTXSID60381403 | 3-Fluorobenzophenone | MFCD00

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonymes

m-fluorobenzophenone | (3-Fluorophenyl)(Phenyl)Methanone | AMY31897 | FT-0631993 | A822280 | (3-Fluoro-phenyl)-phenyl-methanone | (3-fluorophenyl)-phenylmethanone | AKOS005258040 | AS-40392 | SCHEMBL3834026 | DTXSID60381403 | 3-Fluorobenzophenone | MFCD00

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488193829
• Sourires canoniques: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F
• IUPAC Name: (3-fluorophenyl)-phenylmethanone
• InChIKey: NCIYZALOQBXNLW-UHFFFAOYSA-N
• INCHI: 1S/C13H9FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
• Isomères SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F
• Poids moléculaire: 200.21
• Reaxy-Rn: 2047052
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047052&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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Point de fusion (°C): 48-52°C
• Poids moléculaire: 200.210 g/mol
• XLogP3: 3.400
• 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: 221.000
• 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