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4-[4-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONYL CHLORIDE - ≥95%, high purity , CAS No.524046-23-9

COA

Grade & Purity:

≥95%

Cas Number: 524046-23-9
PubChem CID: 3720102

In stock

Item Number

B708833

Grouped product items
SKU	Size	Availability	Price	Qty
B708833-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90

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	Trifluoromethylbenzenes Benzenesulfonyl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Trifluoromethylbenzene - Benzenesulfonyl chloride - Benzenesulfonyl group - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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-[4-(trifluoromethyl)phenyl]benzenesulfonyl chloride
INCHI	InChI=1S/C13H8ClF3O2S/c14-20(18,19)12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15,16)17/h1-8H
InChIKey	ULTGKXKNKRJOHG-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)C(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)C(F)(F)F
Alternate CAS	524046-23-9
PubChem CID	3720102

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	320.710 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	319.989 Da
Monoisotopic Mass	319.989 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	414.000
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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