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Phenyl 4-bromobenzenesulfonate - 98%, high purity , CAS No.5455-14-1

COA

Grade & Purity:

≥98%

Cas Number: 5455-14-1
Molecular Weight: 313.2
PubChem CID: 229552

In stock

Item Number

P185124

Grouped product items
SKU	Size	Availability	Price
P185124-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
P185124-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$258.90
P185124-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,164.90

Discover Phenyl 4-bromobenzenesulfonate by Aladdin Scientific in 98% for only $62.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Z45514426 \| Phenyl 4-bromobenzenesulphonate 98% \| Phenyl 4-bromobenzenesulfonate # \| ARYXAYIIDXKEDB-UHFFFAOYSA-N \| NSC23317 \| NSC-23317 \| DTXSID40281871 \| phenyl 4-bromobenzene-1-sulfonate \| Benzenesulfonic acid, 4-bromo-, phenyl ester \| BS-23828 \| Phenyl
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonate esters
Alternative Parents	Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Bromobenzenes Organosulfonic acid esters Aryl bromides Sulfonyls Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Bromobenzene - Halobenzene - Organosulfonic acid ester - Aryl bromide - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
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	phenyl 4-bromobenzenesulfonate
INCHI	InChI=1S/C12H9BrO3S/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9H
InChIKey	ARYXAYIIDXKEDB-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br
Isomeric SMILES	C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br
PubChem CID	229552
Molecular Weight	313.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	313.170 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	311.946 Da
Monoisotopic Mass	311.946 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	322.000
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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