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CAS No.: | 181950-57-2 |
---|---|
Name: | 4-Chloro-7-hydroxyquinoline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H6ClNO |
Molecular Weight: | 179.606 |
Synonyms: | 7-Quinolinol, 4-chloro-; |
EINECS: | 200-589-5 |
Density: | 1.412 g/cm3 |
Boiling Point: | 329.3 °C at 760 mmHg |
Flash Point: | 152.955 °C |
PSA: | 33.12000 |
LogP: | 2.59380 |
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The 4-Chloro-7-hydroxyquinoline with the CAS number 181950-57-2 is also called 7-Quinolinol, 4-chloro-. The systematic name is 4-chloroquinolin-7-ol. Its molecular formula is C9H6ClNO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4-Chloro-7-hydroxyquinoline are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 282; (6)ACD/BCF (pH 7.4): 264; (7)ACD/KOC (pH 5.5): 1939; (8)ACD/KOC (pH 7.4): 1817; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 48.963 cm3; (15)Molar Volume: 127.154 cm3; (16)Polarizability: 19.411×10-24cm3; (17)Surface Tension: 61.539 dyne/cm; (18)Enthalpy of Vaporization: 59.447 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(ccnc2cc1O)Cl
(2)InChI: InChI=1/C9H6ClNO/c10-8-3-4-11-9-5-6(12)1-2-7(8)9/h1-5,12H
(3)InChIKey: SQWLNFPPFMFTIC-UHFFFAOYAZ