2-Trifluoromethyl-2-propanol - ≥97%(GC) , CAS No.507-52-8

CAS: 507-52-8 Cat. No.: T161663 Summenformel: C₄H₇F₃O Molekulargewicht: 128.09 EG-Nummer: 208-075-3 PubChem CID: 68182

GRADE & PURITY ≥97%(GC)

Synonyms

TUNKNOJDCVQJCX-UHFFFAOYSA-N | NSC3633 | 2-(TRIFLUOROMETHYL)PROPANOL-2 | 2-(trifluoromethyl)-2-propanol | EINECS 208-075-3 | UNII-MM78D29ULQ | 2-Propanol, 1,1,1-trifluoro-2-methyl- | EN300-135958 | 1,1,1-Trifluoro-2-methylpropan-2-ol | 2-Trifluoromethyl-2-

Storage

Room temperature

Shipped In

Normal

Übersicht

2-Trifluoromethyl-2-propanol is a fluorinated aliphatic alcohol. It can be prepared by reacting methyllithium, trifluoroacetone and trifluorovinyl bromide in ether.This can also be synthesized from the reaction between methylmagnesium bromide and 1,1,1-trifluoroacetone in ether. 

Application：

2-Trifluoromethyl-2-propanol may be employed as a solvent for the preparation of [18F]fluorothymidine. It may also be used in the synthesis of [2-(trifluoromethyl)-2-propyl nitrate] through nitration in nitric acid/trifluoroacetic anhydride.

Specifications

Synonyme

TUNKNOJDCVQJCX-UHFFFAOYSA-N | NSC3633 | 2-(TRIFLUOROMETHYL)PROPANOL-2 | 2-(trifluoromethyl)-2-propanol | EINECS 208-075-3 | UNII-MM78D29ULQ | 2-Propanol, 1,1,1-trifluoro-2-methyl- | EN300-135958 | 1,1,1-Trifluoro-2-methylpropan-2-ol | 2-Trifluoromethyl-2-

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 504754265
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754265
• Kanonisches Lächeln: CC(C)(C(F)(F)F)O
• IUPAC Name: 1,1,1-trifluoro-2-methylpropan-2-ol
• InChIKey: OCGWWLDZAFOHGD-UHFFFAOYSA-N
• INCHI: 1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
• Isomere SMILES: CC(C)(C(F)(F)F)O
• WGK Deutschland: 3
• PubChem CID: 68182
• Molekulargewicht: 128.09
• Reaxy-Rn: 1736196

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Fluorohydrins Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Halohydrin - Fluorohydrin - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.33
• Flammpunkt (°F): 59 °F
• Flammpunkt (°C): 15°C(lit.)
• Siedepunkt (°C): 82°C(lit.)
• Molekulargewicht: 128.090 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 128.045 Da
• Monoisotopic Mass: 128.045 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 83.800
• 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