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CAS No.: | 188759-77-5 |
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Name: | 4-Chloro-5,8-Dimethylquinoline |
Molecular Structure: | |
Formula: | C11H10ClN |
Molecular Weight: | 191.66 |
Synonyms: | 4-CHLORO-5,8-DIMETHYLQUINOLINE |
Density: | 1.188 g/cm3 |
Melting Point: | 51 °C |
Boiling Point: | 293.3 °C at 760 mmHg |
Flash Point: | 159 °C |
PSA: | 12.89000 |
LogP: | 3.50500 |
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The 4-Chloro-5,8-Dimethylquinoline, with the CAS registry number of 188759-77-5, is also known as Quinoline, 4-chloro-5,8-dimethyl-. Its molecular formula is C11H10ClN and molecular weight is 191.66. What's more, its systematic name is 4-Chloro-5,8-dimethyl-quinoline.
Physical properties about the 4-Chloro-5,8-Dimethylquinoline are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.7 ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.621; (10)Molar Refractivity: 56.73 cm3; (11)Molar Volume: 161.2 cm3; (12)Surface Tension: 44.4 dyne/cm; (13)Density: 1.188 g/cm3; (14)Flash Point: 159 °C; (15)Enthalpy of Vaporization: 51.15 kJ/mol; (16)Boiling Point: 293.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00305 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(C)c2c(Cl)ccnc12
(2) InChI: InChI=1/C11H10ClN/c1-7-3-4-8(2)11-10(7)9(12)5-6-13-11/h3-6H,1-2H3
(3) InChIKey: SDAPXCIJNOHLDZ-UHFFFAOYAO