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ChemicalBook--->CAS DataBase List--->56-57-5

56-57-5

56-57-5 Structure

56-57-5 Structure
IdentificationMore
[Name]

4-NITROQUINOLINE N-OXIDE
[CAS]

56-57-5
[Synonyms]

4-NITRO-1-QUINOLINIUMOLATE
4-NITROCHINOLINE-N-OXIDE
4-NITROQUINOLINE 1-OXIDE
4-NITROQUINOLINE N-OXIDE
4-NITROQUINOLINIUM-1-OLATE
TIMTEC-BB SBB006266
4-nitrochinolinn-oxid
4-nitrochinolinn-oxid(swedish)
4-nitro-quinolin1-oxide
4-nitroquinolineoxide
4-nqo
nitrochin
Nitroquinolineoxide
N-NITROQUINOLINE-N-OXIDE, 1000MG, NEAT
NITROQUINOLINE-N-OXIDE
NITROQUINOLINE-1-OXIDE
4-Nitroquinoline-N-oxide, HPLC 98%
4-NITROQUINOLINE N-OXIDE POWDER
4-NITROQUINOLINE N-OXIDE 98+%
Quinoline, 4-nitro-, 1-oxide
[EINECS(EC#)]

200-281-1
[Molecular Formula]

C9H6N2O3
[MDL Number]

MFCD00006738
[Molecular Weight]

190.16
[MOL File]

56-57-5.mol
Chemical PropertiesBack Directory
[Appearance]

yellow-brown crystals or powder
[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
[form ]

Crystalline Solid
[pka]

-1.83±0.10(Predicted)
[color ]

yellow to brown
[Stability:]

Stable. Hygroscopic, light-sensitive. Incompatible with strong oxidizing agents.
[Detection Methods]

HPLC
[BRN ]

165756
[InChIKey]

YHQDZJICGQWFHK-UHFFFAOYSA-N
[CAS DataBase Reference]

56-57-5(CAS DataBase Reference)
[Storage Precautions]

Light sensitive
[EPA Substance Registry System]

4-Nitroquinoline 1-oxide (56-57-5)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R45:May cause cancer.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

VC2100000
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29339900
[Safety Profile]

Suspected carcinogen with experimental carcinogenic, neoplas tigenic, and tumorigenic data. Poison by intraperitoneal and subcutaneous routes. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
[Hazardous Substances Data]

56-57-5(Hazardous Substances Data)
[Toxicity]

LD50 intraperitoneal in mouse: 190mg/kg
Raw materials And Preparation ProductsBack Directory
[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
Hazard InformationBack Directory
[General Description]

Yellowish-brown plates or needles or yellow solid.
[Reactivity Profile]

4-NITROQUINOLINE-1-OXIDE(56-57-5) reacts with strong oxidizing agents.
[Air & Water Reactions]

This compound is hygroscopic and light sensitive. Insoluble in water.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: This compound 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 this compound are not available; however, 4-NITROQUINOLINE-1-OXIDE is probably combustible.
[Chemical Properties]

yellow-brown crystals or powder
[Uses]

4-Nitroquinoline N-oxide has been used as a model compound to study its carcinogenic effects.
[Uses]

4-Nitroquinoline N-Oxide is used in method for constructing animal model of oral mucosal malignancy related to Kras mutation.
[Definition]

ChEBI: A quinoline N-oxide carrying a nitro substituent at position 4.
[Biochem/physiol Actions]

Skin and lung tumor initiator under experimental conditions.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROQUINOLINE N-OXIDE(56-57-5)MS
4-NITROQUINOLINE N-OXIDE(56-57-5)1HNMR
4-NITROQUINOLINE N-OXIDE(56-57-5)13CNMR
4-NITROQUINOLINE N-OXIDE(56-57-5)IR1
4-NITROQUINOLINE N-OXIDE(56-57-5)IR2
4-NITROQUINOLINE N-OXIDE(56-57-5)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitroquinoline-N-oxide, 98%(56-57-5)
[Alfa Aesar]

4-Nitroquinoline N-oxide, 98+%(56-57-5)
[Sigma Aldrich]

56-57-5(sigmaaldrich)
[TCI AMERICA]

4-Nitroquinoline N-Oxide,>98.0%(T)(56-57-5)
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1613-37-2 56-57-5

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