5-(2,4-Difluorophenyl)-2-hydroxypyrimidine - ≥98% , CAS No.1111107-95-9

CAS: 1111107-95-9 Cat. No.: D179419 Formula: C₁₀H₆F₂N₂O Peso molecolare: 208.2 PubChem CID: 53222276

GRADE & PURITY ≥98%

Synonyms

5-(2,4-Difluorophenyl)pyrimidin-2-ol|1111107-95-9|5-(2,4-DIFLUOROPHENYL)-2-HYDROXYPYRIMIDINE|5-(2,4-difluorophenyl)-1H-pyrimidin-2-one|DTXSID60686804|MFCD11876802|SB59250|5-(2,4-Difluorophenyl)-2-pyrimidinol|BS-26333|5-(2,4-Difluorophenyl)pyrimidin-2(1H)-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

5-(2,4-Difluorophenyl)pyrimidin-2-ol | 1111107-95-9 | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXYPYRIMIDINE | 5-(2,4-difluorophenyl)-1H-pyrimidin-2-one | DTXSID60686804 | MFCD11876802 | SB59250 | 5-(2,4-Difluorophenyl)-2-pyrimidinol | BS-26333 | 5-(2,4-Difluorophenyl)pyrimidin-2(1H)-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(C=C1F)F)C2=CNC(=O)N=C2

IUPAC Name

5-(2,4-difluorophenyl)-1H-pyrimidin-2-one

InChIKey

LBILLOXOJXFZKM-UHFFFAOYSA-N

INCHI

1S/C10H6F2N2O/c11-7-1-2-8(9(12)3-7)6-4-13-10(15)14-5-6/h1-5H,(H,13,14,15)

Isomeri SMILES

C1=CC(=C(C=C1F)F)C2=CNC(=O)N=C2

PubChem CID

53222276

Peso molecolare

208.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Pyrimidones Fluorobenzenes Hydropyrimidines Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylpyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• Peso molecolare: 208.160 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.045 Da
• Monoisotopic Mass: 208.045 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 327.000
• 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

Domande frequenti

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 1111107-95-9, the molecular formula is C10H6F2N2O, and the molecular weight is 208.2 g/mol. InChIKey LBILLOXOJXFZKM-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.