Ácido difluoroacético - ≥98% , CAS No.381-73-7

CAS: 381-73-7 Cat. No.: D102056 Peso molecular: 96.03 Beilstein Registry Number: 1098588 Número EC: 206-839-0

GRADE & PURITY ≥98%

Synonyms

1,1-difluoroacetic acid | C2H2F2O2 | D1423 | UNII-ZQK1C95K3N | AKOS000118821 | difluoracetic acid | Acetic acid, difluoro- | BP-10757 | Difluoroacetic acid, 98% | Q-102553 | BRN 1098588 | EC 206-839-0 | PS-18111 | EINECS 206-839-0 | Acetic acid, difluoro-

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Difluoroacetic acid is a monocarboxylic acid and an organofluorine compound. It is an easy-to-handle reagent used to prepare difluoromethyl substituents. Difluoroacetic acid can be used as a difluoromethylating agent for the direct C-H difluoromethylation of heterocyclic compounds. It has a strong odor. It is miscible with ethanol, ether, benzene, etc. It is used in the preparation of 2-difluoromethylbenzimidazole, oxazole, and thiazole from ortho-substituted anilines mediated by triphenylphosphine.

Specifications

Sinónimos

1, 1-difluoroacetic acid | C2H2F2O2 | D1423 | UNII-ZQK1C95K3N | AKOS000118821 | difluoracetic acid | Acetic acid, difluoro- | BP-10757 | Difluoroacetic acid, 98% | Q-102553 | BRN 1098588 | EC 206-839-0 | PS-18111 | EINECS 206-839-0 | Acetic acid, difluoro-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(C(=O)O)(F)F
• IUPAC Name: 2,2-difluoroacetic acid
• InChIKey: PBWZKZYHONABLN-UHFFFAOYSA-N
• INCHI: 1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)
• Isómeros SMILES: C(C(=O)O)(F)F
• WGK Alemania: 3
• RTECS: AG9900000
• Número ONU: 3265
• Peso molecular: 96.03
• Beilstein: 1098588
• Reaxy-Rn: 1098588
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098588&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - 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 alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: organofluorine compound - monocarboxylic acid

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Completely miscible
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.344
• Punto de inflamación (°F): 172.4 °F
• Punto de inflamación (°C): 78 °C
• Punto de ebullición (°C): 132-134°C
• Punto de fusión (°C): -1°C
• Peso molecular: 96.030 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 96.0023 Da
• Monoisotopic Mass: 96.0023 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 60.600
• 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. Shili Qin, Fanshu Meng, Fenglong Jin, Xidi Xu, Ming Zhao, Hongtao Chu, Lidi Gao, Shuren Liu.  (2024)  Dual-functional porphyrinic zirconium-based metal–organic framework for the fluorescent sensing of histidine enantiomers and Hg2+.  Analytical Methods,  16  (15): (2386-2399).  [PMID:38572640] [10.1039/D3AY02241B]

2. Yu-Jia Nong, Qian-Yuan Wu, Yuan-Chu Qin, Zi-Bo Jing, Er-Dong Wang, Qing Bai, Wen-Long Wang.  (2025)  Enhanced Photolysis of Sulfite by Far-UVC (222 nm) and Efficient Photoreductive Degradation and Dehalogenation of Halogenated Organic Pollutants.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40761014] [10.1021/acs.est.5c04240]