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5-methyl-2-nitroanisole - 99%, high purity , CAS No.38512-82-2

COA

Grade & Purity:

≥99%

Cas Number: 38512-82-2
Molecular Weight: 167.16
Beilstein Registry Number: 2092369
EC Number: 253-975-1
MDL number: MFCD00007367
PubChem CID: 97455
PubChem SID: 488187055

In stock

Item Number

M134141

Grouped product items
SKU	Size	Availability	Price
M134141-1g	1g	3	$12.90
M134141-5g	5g	3	$47.90
M134141-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$160.90

Discover 5-methyl-2-nitroanisole by Aladdin Scientific in 99% for only $12.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	AM803823 \| UNII-ZJ2GD17DGE \| Z202487574 \| ZJ2GD17DGE \| DTXSID80191844 \| EN300-194150 \| Boronic acid, B-(3-aminophenyl)-, hydrate (1:1) \| Benzene, 2-methoxy-4-methyl-1-nitro- \| InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H \| EINECS 253-975-1 \| S
Specifications & Purity	≥99%
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	488187055
IUPAC Name	2-methoxy-4-methyl-1-nitrobenzene
INCHI	InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3
InChIKey	XCOUVPWGTSKINY-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)[N+](=O)[O-])OC
Isomeric SMILES	CC1=CC(=C(C=C1)[N+](=O)[O-])OC
WGK Germany	3
Molecular Weight	167.16
Beilstein	2092369
Reaxy-Rn	2092369
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092369&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.

1 results found

Lot Number	Certificate Type	Date	Item
J1923054	Certificate of Analysis	May 12, 2023	M134141

Chemical and Physical Properties

Melt Point(°C)	58-60°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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