| 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 | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H318 | [Precautionary statements ]
P280-P301+P312+P330-P305+P351+P338+P310 | [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 | [Application]
Reactant for preparation of:
-
Pharmaceutically active 2-oxo-1-pyrrolidine analogues
-
Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
-
Protein Kinase Inhibitors and antiproliferative agents
-
Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4 (mGlu4)
-
Antifungal agents
-
Cannabinoid receptor type 1 (CB1) antagonists
-
Potential anticancer agents
-
Potential antivascular agents
-
Selective Anti-leukemic agents
-
Anti human immunodeficiency virus subtype 1 (HIV-1) agents
| [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 ( | [Synthesis]
In 500ml round bottom flask add 27.2g2-sodium-1-acetylindole (0.1mo1), add 100ml acetic acid, cool down to 12°C, in 1h dropwise finish 19ml fuming nitric acid, the reaction is complete, carefully poured into 250ml crushed water, add 160gNaOH, slowly ra | [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.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|