2,5-Difluorobenzophenone - ≥97% , CAS No.85068-36-6

CAS: 85068-36-6 Cat. No.: D121993 Formule: C₁₃H₈F₂O Poids moléculaire: 218.2 Beilstein Registry Number: 4417185 Numéro CE: 285-298-2

GRADE & PURITY ≥97%

Synonyms

PS-7906 | EINECS 285-298-2 | AC-1569 | MFCD00009899 | 2,5-Difluorobenzophenone | Z37BAF7S2A | (2,5-Difluorophenyl)(phenyl)methanone # | SCHEMBL333382 | FT-0610353 | AM62119 | Methanone, (2,5-difluorophenyl)phenyl- | 2.5-difluorobenzophenone | (2,5-Difluor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

PS-7906 | EINECS 285-298-2 | AC-1569 | MFCD00009899 | 2,5-Difluorobenzophenone | Z37BAF7S2A | (2,5-Difluorophenyl)(phenyl)methanone # | SCHEMBL333382 | FT-0610353 | AM62119 | Methanone, (2,5-difluorophenyl)phenyl- | 2.5-difluorobenzophenone | (2,5-Difluor

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508807739

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807739

Sourires canoniques

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

IUPAC Name

(2,5-difluorophenyl)-phenylmethanone

InChIKey

HSCUAAMDKDZZKG-UHFFFAOYSA-N

INCHI

1S/C13H8F2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H

Isomères SMILES

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

Poids moléculaire

218.2

Beilstein

4417185

Reaxy-Rn

4417185

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4417185&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 Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ketone - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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

• Indice de réfraction: 1.5693
• Point d'éclair (°F): >110°C(230°F)
• Point d'éclair (°C): >110°C(230°F)
• Point d'ébullition (°C): 123°C/0.3mmHg
• Poids moléculaire: 218.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.054 Da
• Monoisotopic Mass: 218.054 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• 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