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1,1'-(((3,3'-Dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-ol) - 97%, high purity , CAS No.16196-97-7

COA

Grade & Purity:

≥97%

Cas Number: 16196-97-7
Molecular Weight: 520.62
PubChem CID: 1718930

In stock

Item Number

D587507

Grouped product items
SKU	Size	Availability	Price
D587507-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
D587507-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
D587507-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90

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Benzene compounds (294)

Basic Description

Specifications & Purity	≥97%
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Benzidines
        Level6 3,3'-disubstituted benzidines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Benzidines
Direct Parent	3,3'-disubstituted benzidines
Alternative Parents	Naphthols and derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Shiff bases Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	3,3'-disubstituted benzidine - 2-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Shiff base - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Imine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
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	1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]naphthalen-2-ol
INCHI	InChI=1S/C36H28N2O2/c1-23-19-27(11-15-33(23)37-21-31-29-9-5-3-7-25(29)13-17-35(31)39)28-12-16-34(24(2)20-28)38-22-32-30-10-6-4-8-26(30)14-18-36(32)40/h3-22,39-40H,1-2H3
InChIKey	KEYZZKYBKUHHMQ-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=CC3=C(C=CC4=CC=CC=C43)O)C)N=CC5=C(C=CC6=CC=CC=C65)O
Isomeric SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=CC3=C(C=CC4=CC=CC=C43)O)C)N=CC5=C(C=CC6=CC=CC=C65)O
Molecular Weight	520.62
Reaxy-Rn	2925636
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2925636&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	520.600 g/mol
XLogP3	8.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	520.215 Da
Monoisotopic Mass	520.215 Da
Topological Polar Surface Area	65.200 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	803.000
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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