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1-(Cyanomethyl)pyrrolidin-1-ium trifluoromethanesulfonate - 98%, high purity , CAS No.573987-48-1

COA

Grade & Purity:

≥98%

Cas Number: 573987-48-1
Molecular Weight: 260.23
PubChem CID: 71306280

In stock

Item Number

C194016

Grouped product items
SKU	Size	Availability	Price
C194016-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C194016-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
C194016-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90

Discover 1-(Cyanomethyl)pyrrolidin-1-ium trifluoromethanesulfonate by Aladdin Scientific in 98% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	N-alkylpyrrolidines Sulfonyls Quaternary ammonium salts Organosulfonic acids Methanesulfonates Trihalomethanes Trialkylamines Alpha-aminonitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Not available
Substituents	Trifluoromethanesulfonate - N-alkylpyrrolidine - Methanesulfonate - Pyrrolidine - Quaternary ammonium salt - Organosulfonic acid - Sulfonyl - Alpha-aminonitrile - Trihalomethane - Tertiary aliphatic amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aliphatic heteromonocyclic 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-pyrrolidin-1-ium-1-ylacetonitrile;trifluoromethanesulfonate
INCHI	InChI=1S/C6H10N2.CHF3O3S/c7-3-6-8-4-1-2-5-8;2-1(3,4)8(5,6)7/h1-2,4-6H2;(H,5,6,7)
InChIKey	ONSASHBHHZNQQZ-UHFFFAOYSA-N
Smiles	C1CC[NH+](C1)CC#N.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES	C1CC[NH+](C1)CC#N.C(F)(F)(F)S(=O)(=O)[O-]
Molecular Weight	260.23
Reaxy-Rn	9516717
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9516717&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	260.240 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	260.044 Da
Monoisotopic Mass	260.044 Da
Topological Polar Surface Area	93.800 Å²
Heavy Atom Count	16
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	2

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