Basic information
- Name:
Quinoline,4-methyl-8-nitro-
- CAS No.:
2801-29-8
- Molecular Structure:
- Formula:
- C10H8N2O2
- Molecular Weight:
- 188.1827
- Synonyms:
- Lepidine,8-nitro- (6CI,7CI,8CI);4-Methyl-8-nitroquinoline;8-Nitrolepidine;NSC 120755;4-methyl-8-nitroquinoline;quinoline, 4-methyl-8-nitro-;
- Density:
- 1.298 g/cm3
- Boiling Point:
- 340.8 °C at 760 mmHg
- Flash Point:
- 159.9 °C
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Specification
The Quinoline,4-methyl-8-nitro-, with the CAS registry number 2801-29-8, has the systematic name of 4-methyl-8-nitroquinoline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H8N2O2.
The characteristics of Quinoline,4-methyl-8-nitro- are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.21; (6)ACD/BCF (pH 7.4): 17.22; (7)ACD/KOC (pH 5.5): 266.82; (8)ACD/KOC (pH 7.4): 266.88; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 53.55 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 21.23×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 159.9 °C; (20)Enthalpy of Vaporization: 56.12 kJ/mol; (21)Boiling Point: 340.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c(ccnc12)C
(2)InChI: InChI=1/C10H8N2O2/c1-7-5-6-11-10-8(7)3-2-4-9(10)12(13)14/h2-6H,1H3
(3)InChIKey: ZNGIJEBXIREQLE-UHFFFAOYAE