2,6-Difluorobenzophenone - ≥98% , CAS No.59189-51-4

CAS: 59189-51-4 Cat. No.: D111815 Formule: C₁₃H₈F₂O Poids moléculaire: 218.2 Numéro CE: 261-650-0

QUALITÉ & PURETÉ ≥98%

Synonyms

2,6-Difluorobenzophenone|59189-51-4|(2,6-Difluorophenyl)(phenyl)methanone|(2,6-difluorophenyl)-phenylmethanone|Methanone, (2,6-difluorophenyl)phenyl-|E47625TKQ5|EINECS 261-650-0|UNII-E47625TKQ5|SCHEMBL1420986|DTXSID70207928|KTRGJHDNHIPMEY-UHFFFAOYSA-N|Met

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

2,6-Difluorobenzophenone | 59189-51-4 | (2,6-Difluorophenyl)(phenyl)methanone | (2,6-difluorophenyl)-phenylmethanone | Methanone, (2,6-difluorophenyl)phenyl- | E47625TKQ5 | EINECS 261-650-0 | UNII-E47625TKQ5 | SCHEMBL1420986 | DTXSID70207928 | KTRGJHDNHIPMEY-UHFFFAOYSA-N | Met

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187227

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187227

Sourires canoniques

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F

IUPAC Name

(2,6-difluorophenyl)-phenylmethanone

InChIKey

KTRGJHDNHIPMEY-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F

Poids moléculaire

218.2

Reaxy-Rn

2266589

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2266589&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: 1.5645
• Point d'ébullition (°C): 120°C
• Poids moléculaire: 218.200 g/mol
• XLogP3: 3.500
• 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: 238.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 59189-51-4, the molecular formula is C13H8F2O, and the molecular weight is 218.2 g/mol. InChIKey KTRGJHDNHIPMEY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.