4-Nitroquinoline N-oxide - CAS 56-57-5
Catalog: |
BB029409 |
Product Name: |
4-Nitroquinoline N-oxide |
CAS: |
56-57-5 |
Synonyms: |
4-nitro-1-oxidoquinolin-1-ium |
IUPAC Name: | 4-nitro-1-oxidoquinolin-1-ium |
Description: | 4-Nitroquinoline N-oxide (CAS# 56-57-5) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H |
InChI Key: | YHQDZJICGQWFHK-UHFFFAOYSA-N |
Boiling Point: | 387.6 °C at 760 mmHg |
Melting Point: | 309 °F |
Purity: | > 98.0 % (T) |
Density: | 1.42 g/cm3 |
Appearance: | Yellowish-brown plates or needles or yellow solid. |
LogP: | 2.69970 |
Vapor Pressure: | 0.0000026 [mmHg] |
GHS Hazard Statement: | H350 (97.78%): May cause cancer [Danger Carcinogenicity] |
Precautionary Statement: | P201, P202, P281, P308+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113322237-A | VAV2 gene-deleted tumor cell line | 20210616 |
CN-113416705-A | Mouse esophageal squamous carcinoma cell line and establishment method and application thereof | 20210528 |
CN-113201495-A | Murine oral squamous cell carcinoma cell line, preparation method and application thereof | 20210507 |
CN-113197304-A | Health food for improving sleep and preparation method thereof | 20210426 |
CN-113069443-A | Application of nebivolol in preparation of medicine for preventing and/or treating oral leukoplakia and oral squamous cell carcinoma | 20210412 |
PMID | Publication Date | Title | Journal |
32942007 | 20201201 | Imbalance in the antioxidant defence system and pro-genotoxic status induced by high glucose concentrations: In vitro testing in human liver cells | Toxicology in vitro : an international journal published in association with BIBRA |
32087850 | 20200101 | Development of an integrated assay in human TK6 cells to permit comprehensive genotoxicity analysis in vitro | Mutation research. Genetic toxicology and environmental mutagenesis |
30884126 | 20190601 | Taiwanin C elicits apoptosis in arecoline and 4-nitroquinoline-1-oxide-induced oral squamous cell carcinoma cells and hinders proliferation via epidermal growth factor receptor/PI3K suppression | Environmental toxicology |
29362862 | 20180401 | The development of an in vitro Pig-a assay in L5178Y cells | Archives of toxicology |
28397014 | 20171001 | Geraniol attenuates 4NQO-induced tongue carcinogenesis through downregulating the activation of NF-κB in rats | Molecular and cellular biochemistry |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Quinoline/Isoquinoline
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