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| CAS No.: | 21629-48-1 |
|---|---|
| Name: | 7-CHLORO-2,8-DIMETHYL-4-QUINOLINOL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H10ClNO |
| Molecular Weight: | 207.659 |
| Synonyms: | Chlorodimethylhydroxyquinoline; |
| Density: | 1.233 g/cm3 |
| Boiling Point: | 329.5 °C at 760 mmHg |
| Flash Point: | 153.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25-41 |
| Safety: | 26-39-45 |
| PSA: | 33.12000 |
| LogP: | 3.21060 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Quinolinol,7-chloro-2,8-dimethyl-, with the CAS registry number of 21629-48-1, is also known as Chlorodimethylhydroxyquinoline. This chemical's molecular formula is C11H10ClNO and molecular weight is 207.66. What's more, its IUPAC name is 7-Chloro-2,8-dimethyl-1H-quinolin-4-one.
Physical properties about the 4-Quinolinol,7-chloro-2,8-dimethyl- are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 5.43; (6)ACD/BCF (pH 7.4): 5.49; (7)ACD/KOC (pH 5.5): 28.32; (8)ACD/KOC (pH 7.4): 28.63; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 55.93 cm3; (15)Molar Volume: 168.2 cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.233 g/cm3; (18)Flash Point: 153.1 °C; (19)Enthalpy of Vaporization: 57.2 kJ/mol; (20)Boiling Point: 329.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000176 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2c(c1C)N/C(=C\C2=O)C
(2) InChI: InChI=1/C11H10ClNO/c1-6-5-10(14)8-3-4-9(12)7(2)11(8)13-6/h3-5H,1-2H3,(H,13,14)
(3) InChIKey: LOJPYUFGOCWEHF-UHFFFAOYAZ