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1,1,1-Trifluoro-3-methyl-2-butanol - 95%, high purity , CAS No.382-02-5

COA

Grade & Purity:

≥95%

Cas Number: 382-02-5
Molecular Weight: 142.12
PubChem CID: 11400829

In stock

Item Number

T170040

Grouped product items
SKU	Size	Availability	Price
T170040-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
T170040-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
T170040-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90

Discover 1,1,1-Trifluoro-3-methyl-2-butanol by Aladdin Scientific in 95% for only $21.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1,1,1-trifluoro-3-methylbutan-2-ol \| 382-02-5 \| 3-Methyl-1,1,1-trifluorobutan-2-ol \| MFCD00462511 \| 1,1,1-Trifluoro-3-methyl-2-butanol \| SCHEMBL752269 \| DTXSID20464640 \| FPIWJHHQCNHQIC-UHFFFAOYSA-N \| BBL101354 \| STL555150 \| AKOS005258887 \| MS-20203 \| CS-0215998 \| 1,1,1-Trifluoro-3
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Halohydrins
    - Subclass Fluorohydrins

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Halohydrins
Subclass	Fluorohydrins
Intermediate Tree Nodes	Not available
Direct Parent	Fluorohydrins
Alternative Parents	Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - 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
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

IUPAC Name	1,1,1-trifluoro-3-methylbutan-2-ol
INCHI	InChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChIKey	FPIWJHHQCNHQIC-UHFFFAOYSA-N
Smiles	CC(C)C(C(F)(F)F)O
Isomeric SMILES	CC(C)C(C(F)(F)F)O
WGK Germany	3
PubChem CID	11400829
Molecular Weight	142.12

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.354
Flash Point(°F)	73.4 °F
Flash Point(°C)	23 °C
Boil Point(°C)	98-104 °C
Molecular Weight	142.120 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	142.061 Da
Monoisotopic Mass	142.061 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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