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Ethyl 4-amino-3-nitrobenzoate - 98%, high purity , CAS No.76918-64-4

COA

Grade & Purity:

≥98%

Cas Number: 76918-64-4
Molecular Weight: 210.2
PubChem CID: 3018687

In stock

Item Number

E186517

Grouped product items
SKU	Size	Availability	Price
E186517-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
E186517-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
E186517-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$370.90

Discover Ethyl 4-amino-3-nitrobenzoate by Aladdin Scientific in 98% for only $42.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ethyl 4-amino-3-nitrobenzoate \| 76918-64-4 \| Ethyl 3-nitro-4-aminobenzoate \| EINECS 278-577-5 \| MFCD00044015 \| Benzoic acid, 4-amino-3-nitro-, ethyl ester \| ETHYL4-AMINO-3-NITROBENZOATE \| 4-Amino-3-nitrobenzoic acid ethyl ester \| SCHEMBL752500 \| Ethyl 4-amino-3-nitro-benzo
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	Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Primary amines Organic salts Organic zwitterions
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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 4-amino-3-nitrobenzoate
INCHI	InChI=1S/C9H10N2O4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2,10H2,1H3
InChIKey	HPCYANYWTUCLMH-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
Molecular Weight	210.2
Reaxy-Rn	3312245
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3312245&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	210.190 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	210.064 Da
Monoisotopic Mass	210.064 Da
Topological Polar Surface Area	98.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251.000
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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