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2,2,2-Trifluoroethanol-1,1-d₂ - 99.5 atom% D, high purity , CAS No.132248-58-9
Basic Description
Synonyms
RHQDFWAXVIIEBN-DICFDUPASA-N | trifluoroethanol-d2 | 1,1-dideuterio-2,2,2-trifluoroethanol | 2,2,2-Trifluoroethanol-d2 | Ethan-1,1-d2-ol, 2,2,2-trifluoro- | 2,2,2-Trifluoroethanol-1,1-d2 | Perfluoro-1,1-dihydroethanol | MFCD00082609 | 2,2,2-Trifluoroethano
Specifications & Purity
≥99.5 atom% D
Product Description
Description
2,2,2-Trifluoroethanol-1,1-d2(2,2,2-Trifluoroethyl-1,1-d2alcohol, TFE-d2) is a deutered trifluoroethanol that may be employed as an NMR solvent.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
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
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.
Names and Identifiers
IUPAC Name
1,1-dideuterio-2,2,2-trifluoroethanol
INCHI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2
InChIKey
RHQDFWAXVIIEBN-DICFDUPASA-N
Smiles
C(C(F)(F)F)O
Isomeric SMILES
[2H]C([2H])(C(F)(F)F)O
PubChem CID
12255976
UN Number
1987C
Molecular Weight
102.05
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
84.2 °F - closed cup
Flash Point(°C)
29 °C - closed cup
Boil Point(°C)
77-80℃ (lit.)
Melt Point(°C)
-44℃ (lit.)
Molecular Weight
102.050 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
102.026 Da
Monoisotopic Mass
102.026 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
38.500
Isotope Atom Count
2
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
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