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2-Methoxy-4-nitrobenzonitrile - >95.0%(GC), high purity , CAS No.101084-96-2

COA

Grade & Purity:

≥95%(GC)

Cas Number: 101084-96-2
Molecular Weight: 178.15
MDL number: MFCD02093781
PubChem CID: 291867
PubChem SID: 488189320

In stock

Item Number

M157810

Grouped product items
SKU	Size	Availability	Price
M157810-1g	1g	3	$33.90
M157810-5g	5g	3	$149.90
M157810-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$673.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Methoxy-4-nitrobenzonitrile
Specifications & Purity	≥95%(GC)
Shipped In	Normal
Product Description	2-Methoxy-4-nitrobenzonitrile may be used in the preparation of 4-amino-2-methoxybenzonitrile

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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	488189320
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189320
IUPAC Name	2-methoxy-4-nitrobenzonitrile
INCHI	InChI=1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3
InChIKey	MLIKCKXLGYEGAO-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Isomeric SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
WGK Germany	3
Molecular Weight	178.15
Reaxy-Rn	3284912
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3284912&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
L2417017	Certificate of Analysis	Dec 18, 2024	M157810
E2015025	Certificate of Analysis	Mar 14, 2024	M157810

Chemical and Physical Properties

Melt Point(°C)	179 °C
Molecular Weight	178.140 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.038 Da
Monoisotopic Mass	178.038 Da
Topological Polar Surface Area	78.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240.000
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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