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Phenoxathiin-4-boronic acid - ≥98%, high purity , CAS No.100124-07-0

COA

Grade & Purity:

≥98%

Cas Number: 100124-07-0
Molecular Weight: 244.08
PubChem CID: 2734376

In stock

Item Number

P343363

Grouped product items
SKU	Size	Availability	Price	Qty
P343363-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$144.90
P343363-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$571.90

Discover Phenoxathiin-4-boronic acid by Aladdin Scientific in ≥98% for only $144.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	AB09295 \| 4-PHENOXATHIINYLBORONIC ACID \| AKOS004113765 \| Phenoxathiin-4-ylboronic Acid \| FT-0642416 \| Boronic acid, B-4-phenoxathiinyl- \| J-000049 \| 4-PHENOXATHIINEBORONIC ACID \| IIENVBUXFRSCLM-UHFFFAOYSA-N \| Phenoxathiin-4-boronic acid \| AS-30500 \| MFCD0
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxathiins
    - Subclass Phenoxathiins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxathiins
Subclass	Phenoxathiins
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxathiins
Alternative Parents	Diarylthioethers Diarylethers Oxathiins Benzenoids Boronic acids Oxacyclic compounds Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenoxathiin - Diaryl ether - Diarylthioether - Aryl thioether - 1,4-oxathiin - Benzenoid - Boronic acid derivative - Boronic acid - Oxacycle - Ether - Organic metalloid salt - Thioether - Organoboron compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.
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	phenoxathiin-4-ylboronic acid
INCHI	InChI=1S/C12H9BO3S/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,14-15H
InChIKey	IIENVBUXFRSCLM-UHFFFAOYSA-N
Smiles	B(C1=C2C(=CC=C1)SC3=CC=CC=C3O2)(O)O
Isomeric SMILES	B(C1=C2C(=CC=C1)SC3=CC=CC=C3O2)(O)O
PubChem CID	2734376
Molecular Weight	244.08

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)	156-157° C
Molecular Weight	244.080 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	244.037 Da
Monoisotopic Mass	244.037 Da
Topological Polar Surface Area	75.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276.000
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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