1H-Indole, 2,3-dihydro-1-methyl-5-nitro- supplier

Name
1-METHYL-5-NITROINDOLINE
EINECS
CAS No. 18711-25-6
Article Data7
CAS DataBase
Density 1.259 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₂
Boiling Point 334.7 °C at 760 mmHg
Molecular Weight 178.19
Flash Point 156.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indoline,1-methyl-5-nitro- (8CI);1-Methyl-5-nitroindoline;N-Methyl-5-nitroindoline;
PSA 49.06000
LogP 2.17530

1H-Indole, 2,3-dihydro-1-methyl-5-nitro- Specification

This chemical is called 1H-Indole, 2,3-dihydro-1-methyl-5-nitro-, and its systematic name is 1-methyl-5-nitro-2,3-dihydro-1H-indole. With the molecular formula of C₉H₁₀N₂O₂, its molecular weight is 178.19. The CAS registry number of this chemical is 18711-25-6.

Other characteristics of the 1H-Indole, 2,3-dihydro-1-methyl-5-nitro- can be summarised as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.68; (6)ACD/BCF (pH 7.4): 57.69; (7)ACD/KOC (pH 5.5): 634.06; (8)ACD/KOC (pH 7.4): 634.14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 48.63 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 19.28×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.259 g/cm³; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 57.77 kJ/mol; (21)Boiling Point: 334.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000126 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cc2c(cc1)N(CC2)C
2.InChI: InChI=1/C9H10N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-3,6H,4-5H2,1H3
3.InChIKey: VNTWOKSFYDNPED-UHFFFAOYAP

Product Name

1-METHYL-5-NITROINDOLINE

1H-Indole, 2,3-dihydro-1-methyl-5-nitro- Specification

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