ChemicalBook--->CAS DataBase List--->6146-52-7

6146-52-7

6146-52-7 Structure

6146-52-7 Structure
IdentificationMore
[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 PropertiesBack Directory
[Appearance]

Yellow-Green Cyrstalline Solid
[Melting point ]

140-142 °C (lit.)
[mp ]

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
[pka]

15.25±0.30(Predicted)
[form ]

Crystalline Powder or Needles
[color ]

Yellow
[Detection Methods]

HPLC,NMR,MS
[BRN ]

383777
[InChIKey]

OZFPSOBLQZPIAV-UHFFFAOYSA-N
[CAS DataBase Reference]

6146-52-7(CAS DataBase Reference)
Safety DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Tetrahydrofuran-->Acetic acid-->Nitric acid-->Acetic anhydride-->Sodium bicarbonate-->Sodium acetate-->Sodium bisulfite-->Polyphosphoric acid-->Quinoline-->Ethyl pyruvate-->Indole-->Cupric oxide-->4-Nitrophenylhydrazine
[Preparation Products]

1-METHYL-5-NITRO-1H-INDOLE-->5-IODOINDOLE-->Zafirlukast-->5-NITROISATOIC ANHYDRIDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Nitroindole(6146-52-7).msds
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

5-Nitroindole(6146-52-7)1HNMR
5-Nitroindole(6146-52-7)13CNMR
5-Nitroindole(6146-52-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Nitroindole, 99%(6146-52-7)
[Alfa Aesar]

5-Nitroindole, 99%(6146-52-7)
[Sigma Aldrich]

6146-52-7(sigmaaldrich)
[TCI AMERICA]

5-Nitroindole,>98.0%(GC)(6146-52-7)
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