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3-(Trifluoromethyl)furan-2,5-dione - ≥95%, high purity , CAS No.700-27-6

COA

Grade & Purity:

≥95%

Cas Number: 700-27-6
Molecular Weight: 166.06
PubChem CID: 2777531

In stock

Item Number

F735464

Grouped product items
SKU	Size	Availability	Price
F735464-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90
F735464-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$424.90
F735464-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,594.90
F735464-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,272.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Dihydrofurans
    - Subclass Furanones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Butenolides
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - 2-furanone - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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)furan-2,5-dione
INCHI	InChI=1S/C5HF3O3/c6-5(7,8)2-1-3(9)11-4(2)10/h1H
InChIKey	YBZPZJWPSHBGOR-UHFFFAOYSA-N
Smiles	C1=C(C(=O)OC1=O)C(F)(F)F
Isomeric SMILES	C1=C(C(=O)OC1=O)C(F)(F)F
PubChem CID	2777531
Molecular Weight	166.06

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	93/65mm Hg
Molecular Weight	166.050 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	165.988 Da
Monoisotopic Mass	165.988 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	250.000
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

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