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2，2，3，3，3-Pentafluoropropyl trifluoromethanesulfonate - ≥95%, high purity , CAS No.6401-00-9

COA

Grade & Purity:

≥95%

Cas Number: 6401-00-9
Molecular Weight: 282.11
PubChem CID: 2776019

In stock

Item Number

P700858

Grouped product items
SKU	Size	Availability	Price
P700858-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
P700858-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$236.90
P700858-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$436.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives
      - Level5 Alkanesulfonic acids and derivatives
        Level6 Alkanesulfonic acids
        Level7 Trifluoromethanesulfonates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Alkanesulfonic acids and derivatives - Alkanesulfonic acids
Direct Parent	Trifluoromethanesulfonates
Alternative Parents	Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
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	2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
INCHI	InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
InChIKey	QHZUUSNAUOEJBB-UHFFFAOYSA-N
Smiles	C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F
Isomeric SMILES	C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F
PubChem CID	2776019
Molecular Weight	282.11

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)	102-105°/740mm
Molecular Weight	282.110 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	281.96 Da
Monoisotopic Mass	281.96 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	332.000
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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