3,5-Difluoroisonicotinic acid - ≥98% , CAS No.903522-29-2

CAS: 903522-29-2 Cat. No.: D187975 Summenformel: C₆H₃F₂NO₂ Molekulargewicht: 159.1 EG-Nummer: 804-543-1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL695984 | 3,5-Difluoropyridine-4-carboxylic acid | 3,5-difluoropyridine-4-carboxylicacid | 3,5-DIFLUORO-4-PYRIDINECARBOXYLIC ACID | DTXSID30602591 | 3,5-difluoroisonicotinic acid | 3,5-Difluoro-isonicotinic acid | 3,5-Difluoroisonicotinic acid, Aldr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL695984 | 3,5-Difluoropyridine-4-carboxylic acid | 3,5-difluoropyridine-4-carboxylicacid | 3,5-DIFLUORO-4-PYRIDINECARBOXYLIC ACID | DTXSID30602591 | 3,5-difluoroisonicotinic acid | 3,5-Difluoro-isonicotinic acid | 3,5-Difluoroisonicotinic acid, Aldr

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488199774

Kanonisches Lächeln

C1=C(C(=C(C=N1)F)C(=O)O)F

IUPAC Name

3,5-difluoropyridine-4-carboxylic acid

InChIKey

DRWDDFVJHGAJTN-UHFFFAOYSA-N

INCHI

1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

Isomere SMILES

C1=C(C(=C(C=N1)F)C(=O)O)F

Molekulargewicht

159.1

Reaxy-Rn

14577972

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14577972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 1-carboxy-2-haloaromatic compounds Aryl fluorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Polyhalopyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 159.090 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 159.013 Da
• Monoisotopic Mass: 159.013 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

Häufig gestellte Fragen

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 903522-29-2, the molecular formula is C6H3F2NO2, and the molecular weight is 159.1 g/mol. InChIKey DRWDDFVJHGAJTN-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.