Trifluoroacetaldehyde hydrate - technical grade, ca 75% in water , CAS No.421-53-4

CAS: 421-53-4 Cat. No.: T137601 Fórmula: C₂H₃F₃O₂ Peso molecular: 116.04 Número EC: 207-006-4 PubChem CID: 67901

GRADE & PURITY Technical grade, ca 75% in water

Synonyms

2,2,2-Trifluoro-1,1-ethanediol (contains Total ca. 35% Water) | NSC 146025 | Tfaih | Trifluoracetaldehyd-hydrat | 2,2-Trifluoro-1,1-ethanediol | EINECS 207-006-4 | Trifluoroethanal hydrate | BCP05623 | Trifluoroacetaldehyde hydrate, tech., ca 75% in water

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,2,2-Trifluoro-1,1-ethanediol (contains Total ca. 35% Water) | NSC 146025 | Tfaih | Trifluoracetaldehyd-hydrat | 2,2-Trifluoro-1,1-ethanediol | EINECS 207-006-4 | Trifluoroethanal hydrate | BCP05623 | Trifluoroacetaldehyde hydrate, tech., ca 75% in water

Especificaciones y pureza

technical grade, ca 75% in water

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Grado técnico

Nombres e identificadores

Pubchem Sid

488184037

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184037

Sonrisas canónicas

C(C(F)(F)F)(O)O

IUPAC Name

2,2,2-trifluoroethane-1,1-diol

InChIKey

VGJWVEYTYIBXIA-UHFFFAOYSA-N

INCHI

1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H

Isómeros SMILES

C(C(F)(F)F)(O)O

CAS alternativo

33953-86-5

PubChem CID

67901

Peso molecular

116.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Carbonyl hydrates Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorohydrin - Carbonyl hydrate - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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: 116.040 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 116.009 Da
• Monoisotopic Mass: 116.009 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.400
• 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

Preguntas frecuentes

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 421-53-4, the molecular formula is C2H3F3O2, and the molecular weight is 116.04 g/mol. InChIKey VGJWVEYTYIBXIA-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.