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3-(Phenylsulfonyl)propionitrile - 97%, high purity , CAS No.10154-75-3

COA

Grade & Purity:

≥97%

Cas Number: 10154-75-3
Molecular Weight: 195.24
PubChem CID: 82413
PubChem SID: 488186095

In stock

Item Number

P419949

Grouped product items
SKU	Size	Availability	Price
P419949-1g	1g	4	$67.90
P419949-5g	5g	4	$227.90
P419949-25g	25g	2	$837.90

Basic Description

Synonyms	10154-75-3 \| 3-(phenylsulfonyl)propanenitrile \| 3-(PHENYLSULFONYL)PROPIONITRILE \| 3-(benzenesulfonyl)propanenitrile \| 3-(Phenylsulphonyl)propiononitrile \| 3-Phenylsulfonylpropionitrile \| Propanenitrile, 3-(phenylsulfonyl)- \| MFCD00047798 \| NSC71443 \| EINECS 233-424-1 \| Enami
Specifications & Purity	≥97%

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	Sulfones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Sulfonyl - Sulfone - 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 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

Pubchem Sid	488186095
IUPAC Name	3-(benzenesulfonyl)propanenitrile
INCHI	InChI=1S/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey	OVZPZPVSUAKTCM-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)S(=O)(=O)CCC#N
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)CCC#N
PubChem CID	82413
Molecular Weight	195.24

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
C2306469	Certificate of Analysis	Nov 11, 2022	P419949
C2306777	Certificate of Analysis	Nov 11, 2022	P419949
C2519770	Certificate of Analysis	Nov 11, 2022	P419949
C2306470	Certificate of Analysis	Nov 11, 2022	P419949

Chemical and Physical Properties

Melt Point(°C)	94-96°C
Molecular Weight	195.240 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	195.035 Da
Monoisotopic Mass	195.035 Da
Topological Polar Surface Area	66.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	287.000
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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