3,3-difluoropropanoic acid - ≥97% , CAS No.155142-69-1

CAS: 155142-69-1 Cat. No.: D629669 Peso molecular: 110.06 Número EC: 859-113-6 PubChem CID: 16218396

GRADE & PURITY ≥97%

Synonyms

SY008513 | 3,3-Difluoropropanoic acid | 3,3-Difluoro-propanoic acid | 3,3-Difluoropropanoicacid | 3,3-Difluoropropanoic'acid | MFCD12024562 | SB22604 | AMY6157 | BS-52974 | P18472 | 3,3-Difluoropropionic acid | SCHEMBL1032308 | DTXSID50584926 | SHJWFIDAWO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY008513 | 3, 3-Difluoropropanoic acid | 3, 3-Difluoro-propanoic acid | 3, 3-Difluoropropanoicacid | 3, 3-Difluoropropanoic'acid | MFCD12024562 | SB22604 | AMY6157 | BS-52974 | P18472 | 3, 3-Difluoropropionic acid | SCHEMBL1032308 | DTXSID50584926 | SHJWFIDAWO

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(C(F)F)C(=O)O
• IUPAC Name: 3,3-difluoropropanoic acid
• InChIKey: SHJWFIDAWODQSR-UHFFFAOYSA-N
• INCHI: 1S/C3H4F2O2/c4-2(5)1-3(6)7/h2H,1H2,(H,6,7)
• Isómeros SMILES: C(C(F)F)C(=O)O
• CAS alternativo: 155142-69-1
• PubChem CID: 16218396
• Peso molecular: 110.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Propiedades químicas y físicas

• Peso molecular: 110.060 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 110.018 Da
• Monoisotopic Mass: 110.018 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 71.300
• 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

Referencias

1. Wenlan Wu, Mengyi Zhang, Yang Lin, Xuening Li, Ying Liang, Ju Liang.  (2025)  Redox-Sensitive Curcumin Prodrug Mediated by Glycyrrhetinic Acid for Liver Cancer Therapy.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2025.107406]