56-57-5

Name	4-NITROQUINOLINE N-OXIDE
CAS	56-57-5
EINECS(EC#)	200-281-1
Molecular Formula	C9H6N2O3
MDL Number	MFCD00006738
Molecular Weight	190.16
MOL File	56-57-5.mol

Chemical Properties

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 Data

Hazard Codes	T
Risk Statements	R45:May cause cancer. less more
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) . less more
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. less more
Hazardous Substances Data	56-57-5(Hazardous Substances Data)
Toxicity	LD50 intraperitoneal in mouse: 190mg/kg less more

Raw materials And Preparation Products

Hazard Information

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 Detail

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