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alpha-(Trifluoromethyl)-gamma-butyrolactone , CAS No.174744-18-4

COA

Grade & Purity:

≥95%

Cas Number: 174744-18-4
Molecular Weight: 154.09
PubChem CID: 2734017

In stock

Item Number

A354224

Grouped product items
SKU	Size	Availability	Price
A354224-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
A354224-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$289.90
A354224-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$799.90

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Fluorine-containing compounds (56)

Basic Description

Synonyms	AKOS026675541 \| 2(3H)-Furanone, dihydro-3-(trifluoromethyl)- \| E72876 \| MFCD00798462 \| DTXSID90370082 \| ALPHA-TRIFLUOROMETHYL-BETA-BUTYROLACTONE \| 3-(trifluoromethyl)oxolan-2-one \| alpha-(Trifluoromethyl)-gamma-butyrolactone \| Z1255383468 \| QNGJRLKMHRKJJL
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 Organoheterocyclic compounds
  - Class Lactones
    - Subclass Gamma butyrolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Gamma butyrolactones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma butyrolactones
Alternative Parents	Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
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	3-(trifluoromethyl)oxolan-2-one
INCHI	InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2-10-4(3)9/h3H,1-2H2
InChIKey	QNGJRLKMHRKJJL-UHFFFAOYSA-N
Smiles	C1COC(=O)C1C(F)(F)F
Isomeric SMILES	C1COC(=O)C1C(F)(F)F
Molecular Weight	154.09
Reaxy-Rn	7474634
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7474634&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2406238	Certificate of Analysis	Oct 25, 2024	A354224
K2406387	Certificate of Analysis	Oct 25, 2024	A354224
K2406388	Certificate of Analysis	Oct 25, 2024	A354224
K2406241	Certificate of Analysis	Oct 25, 2024	A354224
K2406239	Certificate of Analysis	Oct 25, 2024	A354224
K2406240	Certificate of Analysis	Oct 25, 2024	A354224

Chemical and Physical Properties

Molecular Weight	154.090 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	154.024 Da
Monoisotopic Mass	154.024 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	151.000
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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