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2,4-Dimethoxybenzonitrile - >99.0%(GC), high purity , CAS No.4107-65-7

COA

Grade & Purity:

≥99%(GC)

Cas Number: 4107-65-7
Molecular Weight: 163.18
MDL number: MFCD00001786
PubChem CID: 77750
PubChem SID: 488185458

In stock

Item Number

D154447

Grouped product items
SKU	Size	Availability	Price
D154447-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D154447-5g	5g	2	$30.90
D154447-25g	25g	2	$92.90
D154447-100g	100g	2	$334.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS005351124 \| SY023934 \| 1-Cyano-2,4-dimethoxybenzene \| F0001-1160 \| D4854 \| DTXSID00194034 \| UNII-WVW39ZC2HT \| CK2128 \| STL168037 \| SCHEMBL1608900 \| 2,4-Dimethoxybenzonitrile, 99% \| 4-Cyano-3-methoxyanisole \| EINECS 223-886-2 \| InChI=1/C9H9NO2/c1-11-8-
Specifications & Purity	≥99%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	2,4-Dimethoxybenzonitrile was used in the preparation of 2,4-dimethoxybenzylamine

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenoxy compounds Benzonitriles Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	488185458
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185458
IUPAC Name	2,4-dimethoxybenzonitrile
INCHI	InChI=1S/C9H9NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,1-2H3
InChIKey	RYRZSQQELLQCMZ-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)C#N)OC
Isomeric SMILES	COC1=CC(=C(C=C1)C#N)OC
WGK Germany	3
Molecular Weight	163.18
Reaxy-Rn	1950512
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950512&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
A2331713	Certificate of Analysis	Feb 03, 2023	D154447
A2331813	Certificate of Analysis	Feb 03, 2023	D154447
A2331779	Certificate of Analysis	Feb 03, 2023	D154447
A2331639	Certificate of Analysis	Feb 03, 2023	D154447
A2331599	Certificate of Analysis	Feb 03, 2023	D154447
A2331778	Certificate of Analysis	Feb 03, 2023	D154447

Chemical and Physical Properties

Melt Point(°C)	95 °C
Molecular Weight	163.170 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	163.063 Da
Monoisotopic Mass	163.063 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	184.000
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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