7,8-Difluoro-4-hydroxyquinoline - ≥98% , CAS No.1142193-11-0

CAS: 1142193-11-0 Cat. No.: D166105 分子式: C₉H₅F₂NO 分子量: 181.14 EC番号: 802-588-1 PubChem CID: 39346208

グレード＆純度 ≥98%

Synonyms

Z2466331685 | AKOS027295189 | 7,8-Difluoroquinolin-4-ol | SB67747 | SCHEMBL23360046 | 1142193-11-0 | 7,8-Difluoroquinolin-4(1H)-one | 7,8-difluoro-1H-quinolin-4-one | EN300-257672 | FT-0747612 | MFCD11870786 | 7,8-Difluoro-4-hydroxyquinoline | 7,8-Difluor

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Z2466331685 | AKOS027295189 | 7,8-Difluoroquinolin-4-ol | SB67747 | SCHEMBL23360046 | 1142193-11-0 | 7,8-Difluoroquinolin-4(1H)-one | 7,8-difluoro-1H-quinolin-4-one | EN300-257672 | FT-0747612 | MFCD11870786 | 7,8-Difluoro-4-hydroxyquinoline | 7,8-Difluor

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504770144

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504770144

カノニカル・スマイル

C1=CC(=C(C2=C1C(=O)C=CN2)F)F

IUPAC Name

7,8-difluoro-1H-quinolin-4-one

InChIKey

FCMOETXRLDHWLW-UHFFFAOYSA-N

INCHI

1S/C9H5F2NO/c10-6-2-1-5-7(13)3-4-12-9(5)8(6)11/h1-4H,(H,12,13)

異性体SMILES

C1=CC(=C(C2=C1C(=O)C=CN2)F)F

WGKドイツ

3

PubChem CID

39346208

分子量

181.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Haloquinolines Hydroquinolines Pyridines and derivatives Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Haloquinoline - Dihydroquinoline - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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

化学的性質と物理的性質

• 分子量: 181.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.034 Da
• Monoisotopic Mass: 181.034 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 254.000
• 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

よくある質問

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 1142193-11-0, the molecular formula is C9H5F2NO, and the molecular weight is 181.14 g/mol. InChIKey FCMOETXRLDHWLW-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.