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4-(4-Chloro-benzenesulfonyl)-piperidine hydrochloride - ≥97%, high purity , CAS No.101768-64-3

COA

Grade & Purity:

≥97%

Cas Number: 101768-64-3
Molecular Weight: 296.21
PubChem CID: 2761071

In stock

Item Number

P700439

Grouped product items
SKU	Size	Availability	Price	Qty
P700439-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,010.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Chlorobenzenes Piperidines Aryl chlorides Sulfones Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Sulfone - Sulfonyl - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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	4-(4-chlorophenyl)sulfonylpiperidine;hydrochloride
INCHI	InChI=1S/C11H14ClNO2S.ClH/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChIKey	SJYLTDPLFVFHFC-UHFFFAOYSA-N
Smiles	C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)Cl.Cl
Isomeric SMILES	C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)Cl.Cl
PubChem CID	2761071
Molecular Weight	296.21

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)	278-283°
Molecular Weight	296.200 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	295.02 Da
Monoisotopic Mass	295.02 Da
Topological Polar Surface Area	54.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	311.000
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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