Cas no 33543-81-6 (1H-Imidazole-2-carboxaldehyde,5-nitro-)
33543-81-6 structure
Product Name:1H-Imidazole-2-carboxaldehyde,5-nitro-
CAS No:33543-81-6
MF:C4H3N3O3
MW:141.084920167923
CID:294317
PubChem ID:15261300
Update Time:2025-04-19
1H-Imidazole-2-carboxaldehyde,5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carboxaldehyde,5-nitro-
- 5-nitro-1H-imidazole-2-carbaldehyde
- 1H-Imidazole-2-carboxaldehyde,4-nitro- (9CI)
- 5-Nitroimidazole-2-carboxaldehyde
- Imidazole-2-carboxaldehyde, 4-nitro- (8CI)
- 1H-Imidazole-2-carboxaldehyde, 4-nitro- (9CI)
- 2-formyl-5-nitroimidazole
- SCHEMBL7470832
- 33543-81-6
- SCHEMBL9516078
- MDIIOVRYTOGGBO-UHFFFAOYSA-N
- AB60575
- 4-NITRO-1H-IMIDAZOLE-2-CARBALDEHYDE
- AKOS006305796
- 1H-Imidazole-2-carboxaldehyde,4-nitro-(9ci)
- 1H-IMIDAZOLE-2-CARBOXALDEHYDE, 4-NITRO-
-
- Inchi： 1S/C4H3N3O3/c8-2-3-5-1-4(6-3)7(9)10/h1-2H,(H,5,6)
- InChI Key： MDIIOVRYTOGGBO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(C=O)N1)=O
Computed Properties
- Exact Mass: 141.01749
- Monoisotopic Mass: 141.01744097g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 88.89
1H-Imidazole-2-carboxaldehyde,5-nitro- Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at recommended temperature
1H-Imidazole-2-carboxaldehyde,5-nitro- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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