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Ethyl 2-nitrobenzoate - 97%, high purity , CAS No.610-34-4

COA

Grade & Purity:

≥97%

Cas Number: 610-34-4
Molecular Weight: 195.176
PubChem CID: 69123
PubChem SID: 488184224

In stock

Item Number

E171161

Grouped product items
SKU	Size	Availability	Price
E171161-1g	1g	4	$9.90
E171161-25g	25g	2	$56.90
E171161-100g	100g	2	$194.90

Discover Ethyl 2-nitrobenzoate by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Ethyl 2-nitrobenzoate \| 610-34-4 \| Ethyl o-nitrobenzoate \| ethyl nitrobenzoate \| Benzoic acid, 2-nitro-, ethyl ester \| Benzoic acid, o-nitro-, ethyl ester \| AI3-04245 \| 54605-16-2 \| NSC-4685 \| MFCD00014696 \| 2-Nitro-benzoic acid ethyl ester \| EINECS 210-220-0 \| Nitrobenzoesaurea
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 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 - Nitroaromatic compound - Benzoyl - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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 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

Pubchem Sid	488184224
IUPAC Name	ethyl 2-nitrobenzoate
INCHI	InChI=1S/C9H9NO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3
InChIKey	CPNMAYYYYSWTIV-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC=CC=C1[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)C1=CC=CC=C1[N+](=O)[O-]
Molecular Weight	195.176
Reaxy-Rn	2050729
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050729&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E2128228	Certificate of Analysis	Mar 13, 2024	E171161
E2128302	Certificate of Analysis	Mar 13, 2024	E171161
E2128303	Certificate of Analysis	Mar 13, 2024	E171161

Chemical and Physical Properties

Boil Point(°C)	172-174°/18mm
Melt Point(°C)	26-30℃
Molecular Weight	195.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.053 Da
Monoisotopic Mass	195.053 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223.000
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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