Basic information
- Name:
1H-Indole,1-methyl-5-nitro-
- Superlist Name:
- 1-Methyl-5-nitro-1H-indole
- CAS No.:
29906-67-0
- Molecular Structure:
- Formula:
- C9H8N2O2
- Molecular Weight:
- 176.17
- Synonyms:
- Indole,1-methyl-5-nitro- (8CI);1-Methyl-5-nitroindole;N-Methyl-5-nitroindole;
- Density:
- 1.29 g/cm3
- Melting Point:
- 167 °C
- Boiling Point:
- 339.2 °C at 760 mmHg
- Flash Point:
- 159 °C
- Appearance:
- Yellow crystalline powder
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Chemistry
IUPAC Name: 1-Methyl-5-nitroindole
Synonyms of 1H-Indole,1-methyl-5-nitro- (CAS NO.29906-67-0): 1-Methyl-5-nitro-1H-indole
CAS NO: 29906-67-0
Molecular Formula: C9H8N2O2
Molecular Weight: 176.17
Molecular Structure: 
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 50.75 Å2
Index of Refraction: 1.631
Molar Refractivity: 48.35 cm3
Molar Volume: 135.6 cm3
Surface Tension: 51.9 dyne/cm
Density: 1.29 g/cm3
Flash Point: 159 °C
Enthalpy of Vaporization: 55.96 kJ/mol
Boiling Point: 339.2 °C at 760 mmHg
Vapour Pressure: 0.000183 mmHg at 25°C
Melting Point: 167 °C
SMILES: [O-][N+](=O)c1cc2c(cc1)n(cc2)C
InChI: InChI=1/C9H8N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-6H,1H3
InChIKey: PXBQSCHRKSBGKV-UHFFFAOYAW
Std. InChI: InChI=1S/C9H8N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-6H,1H3
Std. InChIKey: PXBQSCHRKSBGKV-UHFFFAOYSA-N
