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CAS No.: | 62265-67-2 |
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Name: | 1-(dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol |
Molecular Structure: | |
Formula: | C11H11Cl2NO2 |
Molecular Weight: | 260.12 |
Synonyms: | Ethanone, 2,2-dichloro-1-(3,4-dihydro-6-hydroxy-1(2H)-quinolinyl)-;Quinolin-6-ol, 1-(dichloroacetyl)-1,2,3,4-tetrahydro-; |
EINECS: | 263-477-6 |
Density: | 1.443 g/cm3 |
Melting Point: | 136-136.5 °C(Solv: chloroform (67-66-3); hexane (110-54-3)) |
Boiling Point: | 501 °C at 760 mmHg |
Flash Point: | 256.8 °C |
PSA: | 40.54000 |
LogP: | 2.54010 |
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The IUPAC name of this chemical is 2,2-Dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone. With the CAS registry number 62265-67-2 and EINECS registry number 263-477-6, it is also named as ethanone, 2,2-dichloro-1-(3,4-dihydro-6-hydroxy-1(2H)-quinolinyl)-. In addition, the molecular formula is C11H11Cl2NO2 and the molecular weight is 260.12. It should be stored in a cool and dry place.
Physical properties about 2,2-Dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 82.6; (5)ACD/BCF (pH 7.4): 82.18; (6)ACD/KOC (pH 5.5): 819.92; (7)ACD/KOC (pH 7.4): 815.72; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 62.73 cm3; (14)Molar Volume: 180.1 cm3; (15)Polarizability: 24.87 ×10-24cm3; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.443 g/cm3; (18)Flash Point: 256.8 °C; (19)Enthalpy of Vaporization: 79.89 kJ/mol; (20)Boiling Point: 501 °C at 760 mmHg; (21)Vapour Pressure: 1.17E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)C(=O)N2c1ccc(O)cc1CCC2
(2)InChI: InChI=1/C11H11Cl2NO2/c12-10(13)11(16)14-5-1-2-7-6-8(15)3-4-9(7)14/h3-4,6,10,15H,1-2,5H2
(3)InChIKey: OMZBOXOCCLZODD-UHFFFAOYAY