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4,5-Diazafluorene-9-one O-(p-Toluenesulfonyl)oxime - 98%, high purity , CAS No.1655490-79-1

COA

Grade & Purity:

≥98%

Cas Number: 1655490-79-1
Molecular Weight: 351.38
PubChem CID: 91972099

In stock

Item Number

D154983

Grouped product items
SKU	Size	Availability	Price
D154983-10mg	10mg	3	$25.90
D154983-25mg	25mg	3	$39.90
D154983-100mg	100mg	3	$130.90

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Material synthetic block (276) Nitrogen donating ligand (229)

Basic Description

Synonyms	1655490-79-1 \| YSWG816 \| D4636 \| MFCD28976163 \| D90310 \| 4,5-Diazafluorene-9-oneO-(p-Toluenesulfonyl)oxime \| 4,5-Diazafluorene-9-one O-Tosyloxime \| (3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylideneamino) 4-methylbenzenesulfonate
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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 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	p-Methylbenzenesulfonates
Alternative Parents	Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Pyridines and derivatives Sulfonyls Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Pyridine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
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	(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylideneamino) 4-methylbenzenesulfonate
INCHI	InChI=1S/C18H13N3O3S/c1-12-6-8-13(9-7-12)25(22,23)24-21-16-14-4-2-10-19-17(14)18-15(16)5-3-11-20-18/h2-11H,1H3
InChIKey	UWCROCJSYGJGEJ-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3
Molecular Weight	351.38
Reaxy-Rn	38044571
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38044571&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2405417	Certificate of Analysis	Mar 16, 2024	D154983
G2405418	Certificate of Analysis	Mar 16, 2024	D154983
G2405406	Certificate of Analysis	Mar 16, 2024	D154983
G2405407	Certificate of Analysis	Mar 16, 2024	D154983
G2405408	Certificate of Analysis	Mar 16, 2024	D154983
G2405416	Certificate of Analysis	Mar 16, 2024	D154983

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive
Molecular Weight	351.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	351.068 Da
Monoisotopic Mass	351.068 Da
Topological Polar Surface Area	89.900 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	584.000
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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