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Methyl 2-methoxy-6-nitrobenzoate - 98%, high purity , CAS No.77901-52-1

COA

Grade & Purity:

≥98%

Cas Number: 77901-52-1
Molecular Weight: 211.17
PubChem CID: 12660844

In stock

Item Number

M195040

Grouped product items
SKU	Size	Availability	Price	Qty
M195040-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
M195040-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90

Discover Methyl 2-methoxy-6-nitrobenzoate by Aladdin Scientific in 98% for only $49.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	METHYL 2-METHOXY-6-NITROBENZOATE \| 77901-52-1 \| MFCD11656789 \| Methyl2-Methoxy-6-nitrobenzoate \| SCHEMBL15971486 \| DTXSID00506017 \| AMY20539 \| AKOS015888181 \| CS-W003794 \| DS-2342 \| QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE \| SY004673 \| A865125
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	O-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Nitrophenyl ether - O-methoxybenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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

IUPAC Name	methyl 2-methoxy-6-nitrobenzoate
INCHI	InChI=1S/C9H9NO5/c1-14-7-5-3-4-6(10(12)13)8(7)9(11)15-2/h3-5H,1-2H3
InChIKey	IKGPBKXTVWMPQY-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1C(=O)OC)[N+](=O)[O-]
Isomeric SMILES	COC1=CC=CC(=C1C(=O)OC)[N+](=O)[O-]
Molecular Weight	211.17
Reaxy-Rn	3094630
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3094630&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.170 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	211.048 Da
Monoisotopic Mass	211.048 Da
Topological Polar Surface Area	81.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249.000
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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