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4769-97-5

Name 4-Nitroindole
CAS 4769-97-5
EINECS(EC#) 689-317-9
Molecular Formula C8H6N2O2
MDL Number MFCD00010056
Molecular Weight 162.15
MOL File 4769-97-5.mol
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Chemical Properties

Appearance Yellow Crystalline Solid
Melting point  205-207 °C (lit.)
Boiling point  288.82°C (rough estimate)
density  1.3264 (rough estimate)
refractive index  1.5770 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Acetone, Dichloromethane, Ethyl Acetate, Methanol
form  Granular Powder
pka 14.76±0.30(Predicted)
color  Yellow
BRN  136022
InChI InChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H
InChIKey LAVZKLJDKGRZJG-UHFFFAOYSA-N
SMILES N1C2=C(C([N+]([O-])=O)=CC=C2)C=C1
CAS DataBase Reference 4769-97-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R68:Possible risk of irreversible effects.
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT, IRRITANT-HARMFUL
HS Code  29339900

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