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CAS No.: 29906-67-0
Name: 1-Methyl-5-nitro-1H-indole
Article Data: 55
Molecular Structure:
Molecular Structure of 29906-67-0 (1-Methyl-5-nitro-1H-indole)
Formula: C9H8N2O2
Molecular Weight: 176.175
Synonyms: Indole,1-methyl-5-nitro- (8CI);1-Methyl-5-nitroindole;N-Methyl-5-nitroindole;
EINECS: 1806241-263-5
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
Risk Codes: 22-41
Safety: 26-39
PSA: 50.75000
LogP: 2.60970
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    CAS#:【29906-67-0】 Molecular weight: 176.17 Simple formula: C9H8N2O2 Chemical structure formula: SPECIFICATIONS: Appearance : crystal Colour : yellow Purity : 98.0% min (HPLC) Loss on drying : 0.5% max Appearance: light yellow powder Storage

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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 Å
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