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Cyanomethanesulfonyl Chloride - ≥95%, high purity , CAS No.27869-04-1

COA

Grade & Purity:

≥95%

Cas Number: 27869-04-1
Molecular Weight: 139.56
PubChem CID: 13142426

In stock

Item Number

C727334

Grouped product items
SKU	Size	Availability	Price	Qty
C727334-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$429.90
C727334-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,079.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Sulfonyl halides
    - Subclass Sulfonyl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Sulfonyl halides
Subclass	Sulfonyl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Sulfonyl chlorides
Alternative Parents	Sulfonyls Organosulfonic acids and derivatives Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine 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	cyanomethanesulfonyl chloride
INCHI	InChI=1S/C2H2ClNO2S/c3-7(5,6)2-1-4/h2H2
InChIKey	QSOXEHOYDPAXTG-UHFFFAOYSA-N
Smiles	C(C#N)S(=O)(=O)Cl
Isomeric SMILES	C(C#N)S(=O)(=O)Cl
PubChem CID	13142426
Molecular Weight	139.56

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	139.560 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.949 Da
Monoisotopic Mass	138.949 Da
Topological Polar Surface Area	66.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	179.000
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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Cyanomethanesulfonyl Chloride - ≥95%, high purity , CAS No.27869-04-1

Basic Description