1H-Indole, 4-methyl-5-nitro- supplier

Name
4-methyl-5-nitro-1H-indole
EINECS
CAS No. 165250-69-1
Article Data4
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 359.882 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 171.451 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-5-nitro-1H-indole;
PSA 61.61000
LogP 2.90770

1H-Indole, 4-methyl-5-nitro- Specification

This chemical is called 1H-Indole, 4-methyl-5-nitro-, and its systematic name is 4-methyl-5-nitro-1H-indole. With the molecular formula of C₉H₈N₂O₂, its molecular weight is 176.17. The CAS registry number of this chemical is 165250-69-1.

Other characteristics of the 1H-Indole, 4-methyl-5-nitro- can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111; (6)ACD/BCF (pH 7.4): 111; (7)ACD/KOC (pH 5.5): 1011; (8)ACD/KOC (pH 7.4): 1011; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.61 Å²; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 49.899 cm³; (15)Molar Volume: 129.988 cm³; (16)Polarizability: 19.782×10^-24cm³; (17)Surface Tension: 61.379 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 171.451 °C; (20)Enthalpy of Vaporization: 58.168 kJ/mol; (21)Boiling Point: 359.882 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc2nccc2c1C
2.InChI: InChI=1/C9H8N2O2/c1-6-7-4-5-10-8(7)2-3-9(6)11(12)13/h2-5,10H,1H3
3.InChIKey: XRJNLFAXLSBIDS-UHFFFAOYAZ

Product Name

4-methyl-5-nitro-1H-indole

1H-Indole, 4-methyl-5-nitro- Specification

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