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7-Methoxy-1-naphthylacetonitrile - >98.0%, high purity , CAS No.138113-08-3

COA

Grade & Purity:

≥98%

Cas Number: 138113-08-3
Molecular Weight: 197.24
MDL number: MFCD08704309
PubChem CID: 11264068
PubChem SID: 488197344

In stock

Item Number

M158791

Grouped product items
SKU	Size	Availability	Price
M158791-1g	1g	3	$25.90
M158791-5g	5g	3	$101.90
M158791-25g	25g	1	$457.90

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Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	(7-Methoxy-naphth-1-yl)acetonitrile \| (7-Methoxynaphth-1-yl)acetonitrile \| 1-Cyanomethyl-7-methoxynaphthalene;2-(7-Methoxy-1-naphthyl)acetonitrile;7-Methoxy-1-naphthaleneacetinitrile \| A25610 \| TS-02792 \| 7-Methoxy-1-naphthylmethylcyanide \| MFCD08704309 \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Anisoles Alkyl aryl ethers Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Phenol ether - Anisole - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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	488197344
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197344
IUPAC Name	2-(7-methoxynaphthalen-1-yl)acetonitrile
INCHI	InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
InChIKey	PYJMGUQHJINLLD-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C=CC=C2CC#N)C=C1
Isomeric SMILES	COC1=CC2=C(C=CC=C2CC#N)C=C1
Molecular Weight	197.24
Reaxy-Rn	5810609
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5810609&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
D2030055	Certificate of Analysis	Feb 22, 2024	M158791

Chemical and Physical Properties

Solubility	Slightly soluble in Methanol
Refractive Index	1.44
Melt Point(°C)	82-85℃
Molecular Weight	197.230 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	197.084 Da
Monoisotopic Mass	197.084 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	255.000
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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