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| CAS No.: | 128676-94-8 |
|---|---|
| Name: | 2-CHLOROQUINOLIN-3-OL |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H6ClNO |
| Molecular Weight: | 179.60 |
| Synonyms: | 2-Chloro-3-hydroxyquinoline; |
| Density: | 1.412 g/cm3 |
| Melting Point: | >210 °C |
| Boiling Point: | 315.201 °C at 760 mmHg |
| Flash Point: | 144.428 °C |
| PSA: | 33.12000 |
| LogP: | 2.59380 |
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- Total:22 Page 1 of 1 1
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Specification
The 2-Chloro-3-hydroxyquinoline is an organic compound with the formula C9H6ClNO. The systematic name of this chemical is 2-chloroquinolin-3-ol. With the CAS registry number 128676-94-8, it is also named as Monochlorohydroxyquinoline.
Physical properties about 2-Chloro-3-hydroxyquinoline are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 58; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 620; (7)ACD/KOC (pH 7.4): 86; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.12 Å2; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 48.963 cm3; (14)Molar Volume: 127.154 cm3; (15)Polarizability: 19.411×10-24cm3; (16)Surface Tension: 61.539 dyne/cm; (17)Density: 1.412 g/cm3; (18)Flash Point: 144.428 °C; (19)Enthalpy of Vaporization: 57.859 kJ/mol; (20)Boiling Point: 315.201 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc2ccccc2nc1Cl
(2)InChI: InChI=1/C9H6ClNO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-5,12H
(3)InChIKey: YXEMPRTUAQVUOI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-5,12H
(5)Std. InChIKey: YXEMPRTUAQVUOI-UHFFFAOYSA-N