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Ethyl 3-methyl-4-nitrobenzoate - 97%, high purity , CAS No.30650-90-9

COA

Grade & Purity:

≥97%

Cas Number: 30650-90-9
Molecular Weight: 209.2
PubChem CID: 2796918

In stock

Item Number

E192646

Grouped product items
SKU	Size	Availability	Price
E192646-10g	10g	2	$25.90
E192646-50g	50g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$90.90
E192646-250g	250g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$406.90

Discover Ethyl 3-methyl-4-nitrobenzoate by Aladdin Scientific in 97% for only $25.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ethyl 3-methyl-4-nitrobenzoate \| 30650-90-9 \| Benzoic acid, 3-methyl-4-nitro-, ethyl ester \| MFCD00115804 \| 3-methyl-4-nitrobenzoic acid ethyl ester \| SCHEMBL3559893 \| POTASSIUMHEXAFLUORONIOBATE \| ethyl 3-methyl-4-nitro-benzoate \| DTXSID00383865 \| OAXJZQMFWBIRKF-UHFFFAOYSA
Specifications & Purity	≥97%
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	Benzoic acid esters Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - 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	ethyl 3-methyl-4-nitrobenzoate
INCHI	InChI=1S/C10H11NO4/c1-3-15-10(12)8-4-5-9(11(13)14)7(2)6-8/h4-6H,3H2,1-2H3
InChIKey	OAXJZQMFWBIRKF-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C
Molecular Weight	209.2
Reaxy-Rn	1972033
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972033&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
F2419022	Certificate of Analysis	Jul 02, 2024	E192646
C2023056	Certificate of Analysis	Jan 11, 2024	E192646

Chemical and Physical Properties

Molecular Weight	209.200 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	209.069 Da
Monoisotopic Mass	209.069 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	248.000
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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