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5-Cyano-2-methylbenzenesulfonyl chloride - 97%, high purity , CAS No.372198-49-7

COA

Grade & Purity:

≥97%

Cas Number: 372198-49-7
Molecular Weight: 215.66
EC Number: ‘878-154-0
PubChem CID: 16794335

In stock

Item Number

C588915

Grouped product items
SKU	Size	Availability	Price
C588915-250mg	250mg	3	$180.90
C588915-100mg	100mg	3	$80.90
C588915-1g	1g	2	$648.90

Basic Description

Synonyms	SCHEMBL3079216 \| Z278196496 \| XPA19849 \| 5-cyano-2-methylbenzenesulfonylchloride \| 5-cyano-2-methyl-benzenesulfonylchloride \| 5-cyano-2-methylbenzene-1-sulfonyl chloride \| SY191785 \| EN300-77884 \| 5-cyano-2-methylbenzenesulfonyl chloride \| C77598 \| AS-657
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds
      - Level5 Benzenesulfonyl halides
        Level6 Benzenesulfonyl chlorides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Benzenesulfonyl halides
Direct Parent	Benzenesulfonyl chlorides
Alternative Parents	Benzonitriles Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl chloride - Benzonitrile - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride 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	5-cyano-2-methylbenzenesulfonyl chloride
INCHI	InChI=1S/C8H6ClNO2S/c1-6-2-3-7(5-10)4-8(6)13(9,11)12/h2-4H,1H3
InChIKey	HDCNLHWRDPSBDB-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)C#N)S(=O)(=O)Cl
Isomeric SMILES	CC1=C(C=C(C=C1)C#N)S(=O)(=O)Cl
Molecular Weight	215.66
Reaxy-Rn	18965802
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18965802&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2302192	Certificate of Analysis	Sep 14, 2023	C588915
K2302193	Certificate of Analysis	Sep 14, 2023	C588915
K2302194	Certificate of Analysis	Sep 14, 2023	C588915

Chemical and Physical Properties

Molecular Weight	215.660 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	214.981 Da
Monoisotopic Mass	214.981 Da
Topological Polar Surface Area	66.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	324.000
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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