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| CAS No.: | 3913-17-5 |
|---|---|
| Name: | 2-Chloro-4,8-dimethylquinoline |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H10ClN |
| Molecular Weight: | 191.66 |
| Synonyms: | 2-CHLORO-4,8-DIMETHYLQUINOLINE;OTAVA-BB BB7018930012 |
| Density: | 1.188 g/cm3 |
| Melting Point: | 65-67 °C |
| Boiling Point: | 311.593 °C at 760 mmHg |
| Flash Point: | 171.292 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 12.89000 |
| LogP: | 3.50500 |
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- Total:38 Page 1 of 1 1
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Specification
The 2-Chloro-4,8-dimethyl-quinoline, with CAS registry number 3913-17-5, has the systematic name of 2-(bromomethyl)-1-methoxy-4-nitrobenzene. Beside this, it is also called benzene, 2-(bromomethyl)-1-methoxy-4-nitro-. And the chemical formula of this chemical is C11H10ClN.
Physical properties of 2-Chloro-4,8-dimethyl-quinoline: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.04; (6)ACD/BCF (pH 7.4): 70.04; (7)ACD/KOC (pH 5.5): 728.66; (8)ACD/KOC (pH 7.4): 728.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 52.12 cm3; (15)Molar Volume: 154.7 cm3; (16)Polarizability: 20.66×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.589 g/cm3; (19)Flash Point: 164.7 °C; (20)Enthalpy of Vaporization: 56.97 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 9.94E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(c1)CBr
(2)InChI: InChI=1/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
(3)InChIKey: JRHMPHMGOGMNDU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
(5)Std. InChIKey: JRHMPHMGOGMNDU-UHFFFAOYSA-N