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

CAS: 75-89-8 Cat. No.: T109512 Formule: C₂H₃F₃O Poids moléculaire: 100.04 Beilstein Registry Number: 1733203 Numéro 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

Synonymes

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 |

Spécifications et pureté

NMR grade, ≥99.8%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Grade

NMR grade

Pureté

≥99.8%

Noms et identifiants

Pubchem Sid

504751089

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

RTECS

KM5250000

PubChem CID

6409

Numéro ONU

1986

Groupe d'emballage

III

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: moisture sensitive
• Indice de réfraction: 1.2907
• Point d'éclair (°F): 84°F
• Point d'éclair (°C): 29℃
• Point d'ébullition (°C): 77-80°C
• Point de fusion (°C): -45°C
• Poids moléculaire: 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