Introduction：Basic information about 4-NITROQUINOLINE N-OXIDE CAS 56-57-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-NITROQUINOLINE N-OXIDE Basic information
| Product Name: | 4-NITROQUINOLINE N-OXIDE |
| Synonyms: | TIMTEC-BB SBB006266;4-nitrochinolinn-oxid;4-nitrochinolinn-oxid(swedish);4-nitro-quinolin1-oxide;4-nitroquinolineoxide;4-nqo;nitrochin;Quinoline, 4-nitro-, 1-oxide |
| CAS: | 56-57-5 |
| MF: | C9H6N2O3 |
| MW: | 190.16 |
| EINECS: | 200-281-1 |
| Product Categories: | pharmacetical;Nitroquinolines;Quinolines |
| Mol File: | 56-57-5.mol |
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4-NITROQUINOLINE N-OXIDE Chemical Properties
| Melting point | 154-156 °C(lit.) |
| Boiling point | 325.64°C (rough estimate) |
| density | 1.42 |
| refractive index | 1.5570 (estimate) |
| storage temp. | -20°C |
| solubility | acetone: clear to hazy |
| pka | -1.83±0.10(Predicted) |
| form | Crystalline Solid |
| color | yellow to brown |
| BRN | 165756 |
| Stability: | Stable. Hygroscopic, light-sensitive. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H |
| InChIKey | YHQDZJICGQWFHK-UHFFFAOYSA-N |
| SMILES | N(C1=CC=N(C2C=CC=CC=21)=O)(=O)=O |
| CAS DataBase Reference | 56-57-5(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Nitroquinoline 1-oxide (56-57-5) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 45-68-40-20/21/22 |
| Safety Statements | 53-45-36/37-22 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | VC2100000 |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29339900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Carc. 1B |
| Hazardous Substances Data | 56-57-5(Hazardous Substances Data) |
| Toxicity | LD50 intraperitoneal in mouse: 190mg/kg |
4-NITROQUINOLINE N-OXIDE Usage And Synthesis
| Chemical Properties | yellow-brown crystals or powder |
| Uses | 4-Nitroquinoline N-Oxide is used in method for constructing animal model of oral mucosal malignancy related to Kras mutation. |
| Uses | 4-Nitroquinoline N-oxide has been used as a model compound to study its carcinogenic effects. |
| Definition | ChEBI: A quinoline N-oxide carrying a nitro substituent at position 4. |
| General Description | Yellowish-brown plates or needles or yellow solid. |
| Air & Water Reactions | 4-NITROQUINOLINE N-OXIDE is hygroscopic and light sensitive. Insoluble in water. |
| Reactivity Profile | 4-NITROQUINOLINE N-OXIDE reacts with strong oxidizing agents. |
| Health Hazard | ACUTE/CHRONIC HAZARDS: 4-NITROQUINOLINE N-OXIDE may cause irritation. When heated to decomposition it may emit toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides. |
| Fire Hazard | Flash point data for 4-NITROQUINOLINE N-OXIDE are not available; however, 4-NITROQUINOLINE N-OXIDE is probably combustible. |
| Biochem/physiol Actions | Skin and lung tumor initiator under experimental conditions. |
| Safety Profile | Suspected carcinogenwith experimental carcinogenic, neoplas tigenic,and tumorigenic data. Poison byintraperitoneal and subcutaneous routes. An experimental teratogen. Other experimentalreproductive effects. Human mutation datareported. When heated to decomposition itemits toxic fumes of NOx. |
| Purification Methods | The N-oxide recrystallises from aqueous acetone as yellow needles or platelets. [Ochiai J Org Chem 18 534 1953, Seki et al. J Phys Chem 91 126 1987, Beilstein 20 III/IV 3396.] |
4-NITROQUINOLINE N-OXIDE Preparation Products And Raw materials
| Raw materials | Sulfuric acid-->Acetic acid-->Nitric acid-->Hydrogen peroxide-->Trifluoroacetic acid-->Potassium nitrate-->Quinoline-->Trifluoromethanesulfonic acid-->2,6-DI-O-METHYL-BETA-CYCLODEXTRIN |
| Preparation Products | 4-NITROQUINOLINE-->2,4-DIBROMOQUINOLINE-->4-Bromoquinoline-->4-Chloro-5,6,7,8-tetrahydroquinoline |
