Skip to the beginning of the images gallery

4-Nitroimidazole - 98%, high purity , CAS No.3034-38-6

8 Citations

COA

Grade & Purity:

≥98%

Cas Number: 3034-38-6
Molecular Weight: 113.07
Beilstein Registry Number: 2815
EC Number: 221-224-7
MDL number: MFCD00005196
PubChem CID: 18208
PubChem SID: 504752872

In stock

Item Number

N113599

Grouped product items
SKU	Size	Availability	Price
N113599-5g	5g	2	$9.90
N113599-25g	25g	2	$24.90
N113599-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$88.90
N113599-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$202.90

View related series

Five-Membered Heterocyclic Compounds (2064) Imidazoles (222)

Basic Description

Synonyms	1H-Imidazole, 4-nitro- \| CL 205086 (9CI) \| NSC 50359 \| 4-nitro-3H-imidazole \| MLS001304931 \| 4-Nitroimidazole, 97% \| AB00374225-05 \| HMS2234E17 \| W-106949 \| EC 221-224-7 \| 4-NITRO-1H-IMIDAZOLE \| 1H-4-Nitroimidazole \| SY001473 \| HY-78644 \| SCHEMBL44903 \| 5
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	4-Nitroimidazole is an intermediate during the synthesis of 1-methyl-2,4,5-trinitro imidazole. Usually used in a study to investigate the catalytic efficiency of heterocyclic compounds in the peroxyoxalate chemiluminescence reaction using bis(2,4,6-trichlorophenyl)oxalate as reagent.

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 Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Nitroimidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - 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	C-nitro compound - imidazoles
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

Associated Targets(Human)

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	504752872
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752872
IUPAC Name	5-nitro-1H-imidazole
INCHI	InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
InChIKey	VYDWQPKRHOGLPA-UHFFFAOYSA-N
Smiles	C1=C(NC=N1)[N+](=O)[O-]
Isomeric SMILES	C1=C(NC=N1)[N+](=O)[O-]
WGK Germany	3
RTECS	NI7892000
Molecular Weight	113.07
Beilstein	2815
Reaxy-Rn	606969
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606969&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.

7 results found

Lot Number	Certificate Type	Date	Item
L2022134	Certificate of Analysis	Oct 14, 2024	N113599
K2425418	Certificate of Analysis	Jun 19, 2024	N113599
C2308388	Certificate of Analysis	Jun 11, 2022	N113599
G2222646	Certificate of Analysis	Jun 11, 2022	N113599
G2222658	Certificate of Analysis	Jun 11, 2022	N113599
G2222657	Certificate of Analysis	Jun 11, 2022	N113599
G2222647	Certificate of Analysis	Jun 11, 2022	N113599

Chemical and Physical Properties

Flash Point(°F)	392 °F
Flash Point(°C)	200 °C
Boil Point(°C)	404.8ºC
Melt Point(°C)	303°C
Molecular Weight	113.080 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	113.023 Da
Monoisotopic Mass	113.023 Da
Topological Polar Surface Area	74.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	99.200
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Chaoyue Zhao, Xianliang Qiao, Zenghuimin Yi, Qingxin Guan, Wei Li. (2020) Active centre and reactivity descriptor of a green single component imidazole catalyst for acetylene hydrochlorination. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (5): (2849-2857).
2. Xingyu Liu, Jinwei Gao, Guofu Zhou, Wanqiang Liu, Qianming Wang, Yuhui Zheng. (2020) Low molecular weight molecule induces the effective stabilization of CsPbBr3 in water. JOURNAL OF MOLECULAR LIQUIDS, 299 (112199).
3. Bin Jiang, Zhaohe Huang, Luhong Zhang, Yongli Sun, Huawei Yang, Hanrong Bi. (2016) Highly efficient and reversible CO2 capture by imidazolate-based ether-functionalized ionic liquids with a capture transforming process. Journal of the Taiwan Institute of Chemical Engineers, 69 (85).
4. Han Song, Lu Zhang, Feng Yu, Bang-Ce Ye, Yingchun Li. (2016) Molecularly imprinted polymer functionalized nanoporous Au-Ag alloy microrod: Novel supportless electrochemical platform for ultrasensitive and selective sensing of metronidazole. ELECTROCHIMICA ACTA, 208 (10).
5. Yingchun Li, Yuan Liu, Yang Yang, Feng Yu, Jie Liu, Han Song, Jiang Liu, Hui Tang, Bang-Ce Ye, Zhipeng Sun. (2015) Novel Electrochemical Sensing Platform Based on a Molecularly Imprinted Polymer Decorated 3D Nanoporous Nickel Skeleton for Ultrasensitive and Selective Determination of Metronidazole. ACS Applied Materials & Interfaces, 7 (28): (15474–15480).
6. Li Yingchun, Liu Yuan, Liu Jie, Liu Jiang, Tang Hui, Cao Cong, Zhao Dongsheng, Ding Yi. (2015) Molecularly imprinted polymer decorated nanoporous gold for highly selective and sensitive electrochemical sensors. Scientific Reports, 5 (1): (1-8).
7. Liu Yuan, Liu Jiang, Tang Hui, Liu Jie, Xu Bingbin, Yu Feng, Li Yingchun. (2015) Fabrication of highly sensitive and selective electrochemical sensor by using optimized molecularly imprinted polymers on multi-walled carbon nanotubes for metronidazole measurement. SENSORS AND ACTUATORS B-CHEMICAL, 206 (647).
8. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu. (2025) Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources. TALANTA, (127975).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration