520594
2-Methyl-5-nitroindole
97%
Synonym(s):
NSC 131898
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About This Item
Empirical Formula (Hill Notation):
C9H8N2O2
CAS Number:
Molecular Weight:
176.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
2-Methyl-5-nitroindole, 97%
form
solid
InChI
1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
SMILES string
Cc1cc2cc(ccc2[nH]1)[N+]([O-])=O
InChI key
IDJGRXQMAHESOD-UHFFFAOYSA-N
assay
97%
mp
172-176 °C (lit.)
Application
Reactant for preparation of:β
- Cyanoindoles
- Methanoindoles
- Protein kinase C theta (PKCθ) inhibitors
- Tubulin polymerization inhibitors
- Peptide-mimetic protease-activated receptor-1 (PAR-1) antagonists
- Cytosolic phospholipase A2α
- Cyclooxygenase (COX) inhibitors
- Serotonin 5-HT6 Receptor Ligands
- Heterocyclic β-substituted alanine derivatives
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Nitration of Indoles. II. The Mononitration of Methylindoles1.
Noland WE, et al.
The Journal of Organic Chemistry, 28(9), 2262-2266 (1963)
Nitration of Indoles. III. Polynitration of 2-Alkylindoles1.
Noland WE, et al.
The Journal of Organic Chemistry, 30(10), 3457-3469 (1965)
Syntheses Based on 2-Methyl-5-nitrogramine. Preparation of 2-Methyl-5-nitroindole-3-acetic Acid.
Noland WE and Rush KR.
The Journal of Organic Chemistry, 28(10), 2921-2922 (1963)
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