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Cas Database

Name	1-Methyl-5-nitro-1H-indole	EINECS	1806241-263-5
CAS No.	29906-67-0	Density	1.29 g/cm³
PSA	50.75000	LogP	2.60970
Solubility	N/A	Melting Point	167 °C
Formula	C₉H₈N₂O₂	Boiling Point	339.2 °C at 760 mmHg
Molecular Weight	176.175	Flash Point	159 °C
Transport Information	N/A	Appearance	Yellow crystalline powder
Safety	26-39	Risk Codes	22-41
Molecular Structure		Hazard Symbols	N/A
Synonyms	Indole,1-methyl-5-nitro- (8CI);1-Methyl-5-nitroindole;N-Methyl-5-nitroindole;	Article Data	55

1-Methyl-5-nitro-1H-indole Chemical Properties

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

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