2-Chloro-4-nitroimidazole - CAS 57531-37-0
Catalog: |
BB029736 |
Product Name: |
2-Chloro-4-nitroimidazole |
CAS: |
57531-37-0 |
Synonyms: |
2-chloro-5-nitro-1H-imidazole; 2-chloro-5-nitro-1H-imidazole |
IUPAC Name: | 2-chloro-5-nitro-1H-imidazole |
Description: | 2-Chloro-4-nitroimidazole (CAS# 57531-37-0) is used in the preparation of antitubercular nitroimidazoles. |
Molecular Weight: | 147.52 |
Molecular Formula: | C3H2ClN3O2 |
Canonical SMILES: | C1=C(NC(=N1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C3H2ClN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6) |
InChI Key: | BOJZBRDIZUHTCE-UHFFFAOYSA-N |
Boiling Point: | 386.8 °C at 760 mmHg |
Density: | 1.74 g/cm3 |
MDL: | MFCD03419295 |
LogP: | 1.49450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112581856-A | Temperature indicating label | 20201229 |
CN-110817843-A | Eutectic solvent, application thereof, carbon quantum dot and preparation method thereof | 20191127 |
CN-110817843-B | Eutectic solvent, application thereof, carbon quantum dot and preparation method thereof | 20191127 |
KR-102284319-B1 | Quantum dot particles in which ionic liquids are ion-bonded | 20191112 |
KR-102284320-B1 | Quantum dot particles in which ionic liquids are ion-bonded | 20191112 |
PMID | Publication Date | Title | Journal |
21588034 | 20100626 | 2-Chloro-4-nitro-1H-imidazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.9835540 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.9835540 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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