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Cyclohexanesulfinic acid sodium salt - 95%, high purity , CAS No.74829-95-1

COA

Grade & Purity:

≥95%

Cas Number: 74829-95-1
Molecular Weight: 170.2
PubChem CID: 23706190

In stock

Item Number

C590072

Grouped product items
SKU	Size	Availability	Price	Qty
C590072-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,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 Organic acids and derivatives
  - Class Sulfinic acids and derivatives
    - Subclass Alkanesulfinic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Sulfinic acids and derivatives
Subclass	Alkanesulfinic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alkanesulfinic acids
Alternative Parents	Organosulfur compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alkanesulfinic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkanesulfinic acids. These are organosulfur compounds containing an aliphatic group attached to a sulfinic acid group (or a derivative thereof), with the general formula RSO2R' (R= alkyl, R'=H).
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	sodium;cyclohexanesulfinate
INCHI	InChI=1S/C6H12O2S.Na/c7-9(8)6-4-2-1-3-5-6;/h6H,1-5H2,(H,7,8);/q;+1/p-1
InChIKey	VKOSCBDFLPBMCB-UHFFFAOYSA-M
Smiles	C1CCC(CC1)S(=O)[O-].[Na+]
Isomeric SMILES	C1CCC(CC1)S(=O)[O-].[Na+]
Molecular Weight	170.2
Reaxy-Rn	4033228
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4033228&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	＞350°C
Molecular Weight	170.210 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	170.038 Da
Monoisotopic Mass	170.038 Da
Topological Polar Surface Area	59.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	112.000
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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