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4-[(4-Methoxybenzylidene)amino]benzonitrile - 98%, high purity , CAS No.13036-19-6

COA

Grade & Purity:

≥98%

Cas Number: 13036-19-6
Molecular Weight: 236.27
Beilstein Registry Number: 4,5
MDL number: MFCD00037167
PubChem CID: 114608
PubChem SID: 488187507

In stock

Item Number

M158724

Grouped product items
SKU	Size	Availability	Price
M158724-250mg	250mg	4	$43.90
M158724-1g	1g	4	$133.90
M158724-5g	5g	2	$602.90

Discover 4-[(4-Methoxybenzylidene)amino]benzonitrile by Aladdin Scientific in 98% for only $43.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Benzonitrile, 4-(((4-methoxyphenyl)methylene)amino)- \| Benzonitrile, 4-[[(4-methoxyphenyl)methylene]amino]- \| 4-((4-Methoxybenzylidene)amino)benzonitrile \| EINECS 235-900-4 \| 4-[(p-Anisylidene)amino]benzonitrile \| 4-Methoxybenzyliden-4-cyanoanilin \| 4-([(
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Shiff bases Propargyl-type 1,3-dipolar organic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Shiff base - Aldimine - Ether - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Imine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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

Pubchem Sid	488187507
IUPAC Name	4-[(4-methoxyphenyl)methylideneamino]benzonitrile
INCHI	InChI=1S/C15H12N2O/c1-18-15-8-4-13(5-9-15)11-17-14-6-2-12(10-16)3-7-14/h2-9,11H,1H3
InChIKey	SZTAFPBCQLNZQR-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
Isomeric SMILES	COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
Molecular Weight	236.27
Beilstein	4,5
Reaxy-Rn	788120
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=788120&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B2315862	Certificate of Analysis	Nov 29, 2022	M158724
C2527100	Certificate of Analysis	Nov 29, 2022	M158724
B2315792	Certificate of Analysis	Nov 29, 2022	M158724
B2316142	Certificate of Analysis	Nov 29, 2022	M158724

Chemical and Physical Properties

Solubility	Soluble in Methanol
Molecular Weight	236.270 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	236.095 Da
Monoisotopic Mass	236.095 Da
Topological Polar Surface Area	45.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	315.000
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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