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
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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
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)
Storage Precautions Light sensitive
EPA Substance Registry System 4-Nitroquinoline 1-oxide (56-57-5)
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Safety Data

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

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