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3'-Methylbiphenyl-4-sulfonyl chloride - ≥97%, high purity , CAS No.186551-47-3

COA

Grade & Purity:

≥97%

Cas Number: 186551-47-3
Molecular Weight: 266.74
PubChem CID: 10754271

In stock

Item Number

M725023

Grouped product items
SKU	Size	Availability	Price	Qty
M725023-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$347.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Benzenesulfonyl chlorides Toluenes Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Benzenesulfonyl chloride - Benzenesulfonyl group - Toluene - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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-(3-methylphenyl)benzenesulfonyl chloride
INCHI	InChI=1S/C13H11ClO2S/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)17(14,15)16/h2-9H,1H3
InChIKey	OHVJVSGIYVAZFD-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
Isomeric SMILES	CC1=CC(=CC=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
PubChem CID	10754271
Molecular Weight	266.74

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	266.740 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	266.017 Da
Monoisotopic Mass	266.017 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	339.000
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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