2,2,2-Trifluoroethanol - NMR grade, ≥99.8% , CAS No.75-89-8

CAS: 75-89-8 Cat. No.: T109512 Fórmula: C₂H₃F₃O Peso molecular: 100.04 Beilstein Registry Number: 1733203 Número CE: 200-913-6 PubChem CID: 6409

GRADE & PURITY NMR grade, ≥99.8%

Synonyms

Trifluoroethanol | trifluroethanol | 2,2,2-Trifluoroethanol redistilled from glass grade | beta, beta, beta-trifluoroethanol | DTXCID401751 | J-506750 | 2,2,2-Trifluoroethanol, NMR grade | NCGC00248871-01 | BRN 1733203 | 2.2,2-trifluoroethanol | NSC 451 |

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

Trifluoroethanol | trifluroethanol | 2,2,2-Trifluoroethanol redistilled from glass grade | beta, beta, beta-trifluoroethanol | DTXCID401751 | J-506750 | 2,2,2-Trifluoroethanol, NMR grade | NCGC00248871-01 | BRN 1733203 | 2.2,2-trifluoroethanol | NSC 451 |

Especificações e pureza

NMR grade, ≥99.8%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

FedEx DG Service

Grau

NMR grade

Pureza

≥99.8%

Nomes e identificadores

Pubchem Sid

504751089

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751089

Sorrisos canónicos

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

IUPAC Name

2,2,2-trifluoroethanol

InChIKey

RHQDFWAXVIIEBN-UHFFFAOYSA-N

INCHI

1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

SMILES isoméricas

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

WGK Alemanha

1

RTECS

KM5250000

PubChem CID

6409

Número UN

1986

Grupo de embalagem

III

Peso molecular

100.04

Beilstein

1733203

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Descrição: 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: fluoroalcohol

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 ação

Propriedades químicas e físicas

• Sensibilidade: moisture sensitive
• Índice de refração: 1.2907
• Ponto de inflamação (°F): 84°F
• Ponto de inflamação (°C): 29℃
• Ponto de ebulição (°C): 77-80°C
• Ponto de fusão (°C): -45°C
• Peso molecular: 100.040 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 100.014 Da
• Monoisotopic Mass: 100.014 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.500
• 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