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2-Methyl-4-nitroanisole - 97%, high purity , CAS No.50741-92-9

COA

Grade & Purity:

≥97%

Cas Number: 50741-92-9
Molecular Weight: 167.16
EC Number: 256-748-5
MDL number: MFCD07787583
PubChem CID: 643520
PubChem SID: 504759746

In stock

Item Number

M134178

Grouped product items
SKU	Size	Availability	Price
M134178-1g	1g	4	$19.90
M134178-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$74.90
M134178-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$114.90
M134178-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$256.90
M134178-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$923.90

Basic Description

Synonyms	benzene, 1-methoxy-2-methyl-4-nitro- \| doi:10.14272/QOZMIJZYJZQOBV-UHFFFAOYSA-N \| 1-methoxy-2-methyl-4-nitrobenzene \| 1-Methoxy-2-methyl-4-nitro-benzene \| DS-17656 \| DTXSID70198786 \| 2-Methoxy-5-nitrotoluene \| EN300-200391 \| FT-0672000 \| InChI=1/C8H9NO3/c
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	2-Methyl-4-nitroanisole may be used in the synthesis of 2-methyl-4-nitrophenol[1] and 3-methyl-4-methoxyaniline.

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	Nitrotoluenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Methoxyaniline - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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	504759746
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759746
IUPAC Name	1-methoxy-2-methyl-4-nitrobenzene
INCHI	InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKey	QOZMIJZYJZQOBV-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)[N+](=O)[O-])OC
Isomeric SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])OC
WGK Germany	3
Molecular Weight	167.16
Reaxy-Rn	2087374
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087374&ln=

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

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Lot Number	Certificate Type	Date	Item
F1917204	Certificate of Analysis	Apr 11, 2023	M134178

Chemical and Physical Properties

Melt Point(°C)	61-64°C
Molecular Weight	167.160 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	167.058 Da
Monoisotopic Mass	167.058 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	166.000
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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