Skip to the beginning of the images gallery

2-Trifluoromethyl-2-propanol - >97.0%(GC), high purity , CAS No.507-52-8

COA

Grade & Purity:

≥97%(GC)

Cas Number: 507-52-8
Molecular Weight: 128.09
MDL number: MFCD00014391
PubChem CID: 68182
PubChem SID: 504754265

In stock

Item Number

T161663

Grouped product items
SKU	Size	Availability	Price
T161663-250mg	250mg	3	$9.90
T161663-1g	1g	5	$29.90
T161663-5g	5g	5	$69.90
T161663-25g	25g	5	$299.90

View related series

Non heterocyclic fluorine-containing block (1408) Oxygenated compounds (806)

Basic Description

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-
Specifications & Purity	≥97%(GC)
Shipped In	Normal
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	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
Description	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
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

Names and Identifiers

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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
G2426325	Certificate of Analysis	Jul 09, 2024	T161663
G2426326	Certificate of Analysis	Jul 09, 2024	T161663
J2428677	Certificate of Analysis	Apr 13, 2024	T161663
K2307299	Certificate of Analysis	Oct 30, 2023	T161663
K2307300	Certificate of Analysis	Oct 30, 2023	T161663
K2307298	Certificate of Analysis	Oct 30, 2023	T161663
K2202687	Certificate of Analysis	Oct 24, 2022	T161663
K2202707	Certificate of Analysis	Oct 24, 2022	T161663
K2202688	Certificate of Analysis	Oct 24, 2022	T161663

Chemical and Physical Properties

Refractive Index	1.33
Flash Point(°F)	59 °F
Flash Point(°C)	15°C(lit.)
Boil Point(°C)	82°C(lit.)
Molecular Weight	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 Å²
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration