| Identification | More | [Name]
5-Nitroindole | [CAS]
6146-52-7 | [Synonyms]
5-NITRO-1H-INDOLE
5-NITROINDOLE
5-nitro-indol
Nitroindole
5-Nitroindole,99%
5-Nitroindole,98+% | [EINECS(EC#)]
228-153-0 | [Molecular Formula]
C8H6N2O2 | [MDL Number]
MFCD00005673 | [Molecular Weight]
162.15 | [MOL File]
6146-52-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow-Green Cyrstalline Solid | [Melting point ]
140-142 °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,Sealed in dry,Room Temperature | [solubility ]
Dichloromethane, Ethyl Acetate, Methanol | [form ]
Crystalline Powder or Needles | [pka]
15.25±0.30(Predicted) | [color ]
Yellow | [Detection Methods]
HPLC,NMR,MS | [BRN ]
383777 | [InChI]
InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H | [InChIKey]
OZFPSOBLQZPIAV-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C([N+]([O-])=O)C=C2)C=C1 | [CAS DataBase Reference]
6146-52-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
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
| [RTECS ]
NM1168200
| [F ]
8 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT, IRRITANT-HARMFUL | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow-Green Cyrstalline Solid | [Uses]
Reactant for preparation of:• ;Pharmaceutically active 2-oxo-1-pyrrolidine analogues1• ;Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2• ;Protein Kinase Inhibitors and antiproliferative agents3• ;Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4 (mGlu4)4• ;Antifungal agents5• ;Cannabinoid receptor type 1 (CB1) antagonists6• ;Potential anticancer agents7• ;Potential antivascular agents8• ;Selective Anti-leukemic agents9• ;Anti human immunodeficiency virus subtype 1 ( | [Purification Methods]
Decolourise (charcoal) 5-nitroindole and recrystallise it twice from aqueous EtOH or recrystallise it from octane. It has UV: 265 and 324nm (EtOH). [Beilstein 20 III/IV 3194, 20/7 V 41.] |
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