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3，3，4，4-Tetrafluoro-1，2-oxathietane 2，2-dioxide - ≥95%, high purity , CAS No.697-18-7

COA

Grade & Purity:

≥95%

Cas Number: 697-18-7
Molecular Weight: 180.08
PubChem CID: 69678

In stock

Item Number

T694294

Grouped product items
SKU	Size	Availability	Price	Qty
T694294-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,518.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxathietanes
    - Subclass Beta sultones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxathietanes
Subclass	Beta sultones
Intermediate Tree Nodes	Not available
Direct Parent	Beta sultones
Alternative Parents	Sulfonic acid esters Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Organosulfonic acid ester - Sulfonic acid ester - Beta-sultone - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta sultones. These are organic compounds containing a four-member cyclic ester of hydroxy sulfonic acid, analogous to lactones. Here, the O-S bond is part of the ring.
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	3,3,4,4-tetrafluorooxathietane 2,2-dioxide
INCHI	InChI=1S/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1
InChIKey	ZMSRCMWBEGLBAI-UHFFFAOYSA-N
Smiles	C1(C(S(=O)(=O)O1)(F)F)(F)F
Isomeric SMILES	C1(C(S(=O)(=O)O1)(F)F)(F)F
PubChem CID	69678
Molecular Weight	180.08

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.080 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	179.95 Da
Monoisotopic Mass	179.95 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	248.000
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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