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3-Methyl-2-nitroanisole - ≥98.0%(GC), high purity , CAS No.5345-42-6

COA

Grade & Purity:

≥98%(GC)

Cas Number: 5345-42-6
Molecular Weight: 167.16
Beilstein Registry Number: 6385
MDL number: MFCD00007179
PubChem CID: 79291
PubChem SID: 504755361

In stock

Item Number

M134681

Grouped product items
SKU	Size	Availability	Price
M134681-1g	1g	2	$11.90
M134681-5g	5g	2	$43.90
M134681-25g	25g	1	$166.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	3-Methyl-2-nitroanisole \| EINECS 226-295-8 \| 1-Methoxy-3-methyl-2-nitrobenzene # \| 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propionate \| MFCD00007179 \| Q-200387 \| AR-362/43519166 \| 3-Methyl-2-nitroanisole, 99% \| AMY30223 \| 1-Methoxy-3-methyl-2-nit
Specifications & Purity	≥98%(GC)
Shipped In	Normal

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	504755361
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755361
IUPAC Name	1-methoxy-3-methyl-2-nitrobenzene
INCHI	InChI=1S/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3
InChIKey	MGBRGNWARSQECY-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)OC)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C(=CC=C1)OC)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	167.16
Beilstein	6385
Reaxy-Rn	2329690
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2329690&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
F1707008	Certificate of Analysis	Jan 19, 2023	M134681
F1924223	Certificate of Analysis	Jan 09, 2023	M134681

Chemical and Physical Properties

Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	170 °C/35 mmHg
Melt Point(°C)	49 °C
Molecular Weight	167.160 g/mol
XLogP3	2.100
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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