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Ethyl 5-nitro-1H-imidazole-2-carboxylate - 97%, high purity , CAS No.865998-46-5

COA

Grade & Purity:

≥97%

Cas Number: 865998-46-5
Molecular Weight: 185.14
PubChem CID: 53302149
PubChem SID: 504771135

In stock

Item Number

E195414

Grouped product items
SKU	Size	Availability	Price
E195414-50mg	50mg	2	$9.90
E195414-250mg	250mg	3	$18.90
E195414-1g	1g	3	$70.90
E195414-5g	5g	3	$348.90
E195414-10g	10g	3	$627.90

Basic Description

Synonyms	Ethyl 5-nitro-1H-imidazole-2-carboxylate \| 865998-46-5 \| ethyl 4-nitro-1H-imidazole-2-carboxylate \| MFCD19442194 \| 4-NITRO-1H-IMIDAZOLE-2-CARBOXYLIC ACID ETHYL ESTER \| SCHEMBL1595448 \| CHEMBL4587739 \| DTXSID20693337 \| YSVPLWXCZZORIO-UHFFFAOYSA-N \| AMY12055 \| AKOS006285014 \| AK
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Nitroimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Nitroimidazoles
Alternative Parents	Nitroaromatic compounds Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Nitroimidazole - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504771135
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771135
IUPAC Name	ethyl 5-nitro-1H-imidazole-2-carboxylate
INCHI	InChI=1S/C6H7N3O4/c1-2-13-6(10)5-7-3-4(8-5)9(11)12/h3H,2H2,1H3,(H,7,8)
InChIKey	YSVPLWXCZZORIO-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NC=C(N1)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)C1=NC=C(N1)[N+](=O)[O-]
Molecular Weight	185.14
Reaxy-Rn	19763088
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19763088&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.

4 results found

Lot Number	Certificate Type	Date	Item
F2208135	Certificate of Analysis	Mar 04, 2025	E195414
F2208141	Certificate of Analysis	Mar 04, 2025	E195414
F2208142	Certificate of Analysis	Mar 04, 2025	E195414
D2015119	Certificate of Analysis	Feb 07, 2023	E195414

Chemical and Physical Properties

Molecular Weight	185.140 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	185.044 Da
Monoisotopic Mass	185.044 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214.000
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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