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2-Methoxy-4-methylbenzonitrile - 95%, high purity , CAS No.53078-69-6

COA

Grade & Purity:

≥95%

Cas Number: 53078-69-6
Molecular Weight: 147.2
PubChem CID: 12495373

In stock

Item Number

M185014

Grouped product items
SKU	Size	Availability	Price
M185014-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
M185014-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
M185014-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$243.90

Discover 2-Methoxy-4-methylbenzonitrile by Aladdin Scientific in 95% for only $19.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-METHOXY-4-METHYLBENZONITRILE \| 53078-69-6 \| MFCD11847156 \| 4-methyl-2-methoxybenzonitrile \| SCHEMBL2614475 \| DTXSID30500361 \| AFCQKLCTKJQOFR-UHFFFAOYSA-N \| CL8173 \| AKOS011585701 \| DS-14970 \| SY110733 \| CS-0100569 \| FT-0714366 \| EN300-99692 \| A856536 \| Z972666194
Specifications & Purity	≥95%
Storage Temp	Room temperature
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 Toluenes Alkyl aryl ethers Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen 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

IUPAC Name	2-methoxy-4-methylbenzonitrile
INCHI	InChI=1S/C9H9NO/c1-7-3-4-8(6-10)9(5-7)11-2/h3-5H,1-2H3
InChIKey	AFCQKLCTKJQOFR-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C#N)OC
Isomeric SMILES	CC1=CC(=C(C=C1)C#N)OC
Molecular Weight	147.2
Reaxy-Rn	2964170
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2964170&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	147.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.068 Da
Monoisotopic Mass	147.068 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170.000
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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