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(S)-1,1,1-Trifluoroisopropanol - 97%, high purity , CAS No.3539-97-7

COA

Grade & Purity:

≥97%

Cas Number: 3539-97-7
Molecular Weight: 114.07
EC Number: 690-088-2
MDL number: MFCD06797331
PubChem CID: 6999971

In stock

Item Number

T633690

Grouped product items
SKU	Size	Availability	Price
T633690-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
T633690-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
T633690-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90

Basic Description

Synonyms	(S)-(-)-1,1,1-trifluoro-2-propanol \| MFCD06797331 \| (S)-1,1,1-trifluor-2-propanol \| A855574 \| (S)-1,1,1-Trifluoropropanol \| EN300-1929750 \| 2-PROPANOL, 1,1,1-TRIFLUORO-, (2S)- \| CS-0130643 \| SCHEMBL11569 \| (S)-1,1,1-TRIFLUORO-2-PROPANOL \| (S)-1,1,1-Triflu
Specifications & Purity	≥97%
Shipped In	Normal

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	(2S)-1,1,1-trifluoropropan-2-ol
INCHI	InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1
InChIKey	GILIYJDBJZWGBG-REOHCLBHSA-N
Smiles	CC(C(F)(F)F)O
Isomeric SMILES	C[C@@H](C(F)(F)F)O
Alternate CAS	3539-97-7
Molecular Weight	114.07
Reaxy-Rn	1734738
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734738&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	-52
Molecular Weight	114.070 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	114.029 Da
Monoisotopic Mass	114.029 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	57.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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