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| CAS No.: | 17556-19-3 |
|---|---|
| Name: | 5-Chloro-2-tetralone |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C10H9ClO |
| Molecular Weight: | 180.634 |
| Synonyms: | 7-CHLORO-3,4-DIHYDRO-1H-NAPHTHALEN-2-ONE;7-Chloro-2-tetralone;5-Chloro-2-tetralone;5-Chloro-3,4-dihydronaphthalen-2(1H)-one;7-chloro-1,2,3,4-tetrahydronaphthalene-2-one;7-chloro-1,2,3,4-tetrahydronaphthalen-2-one;7-chloro-3,4-dihydronaphthalen-2(1H)-one |
| Density: | 1.248 g/cm3 |
| Boiling Point: | 304.612 °C at 760 mmHg |
| Flash Point: | 145.219 °C |
| PSA: | 17.07000 |
| LogP: | 2.39780 |
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Specification
The 5-Chloro-2-tetralone, with CAS registry number 17556-19-3, has the systematic name of 7-chloro-3,4-dihydronaphthalen-2(1H)-one. Besides this, it is also called 5-Chloro-3,4-dihydronaphthalen-2(1H)-one. And the chemical formula of this chemical is C10H9ClO.
Physical properties of 5-Chloro-2-tetralone: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.21; (6)ACD/BCF (pH 7.4): 34.21; (7)ACD/KOC (pH 5.5): 436.24; (8)ACD/KOC (pH 7.4): 436.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 48.06 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 19.05×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Enthalpy of Vaporization: 54.5 kJ/mol; (19)Vapour Pressure: 0.000865 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2c(c1)CC(=O)CC2
(2)InChI: InChI=1/C10H9ClO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
(3)InChIKey: CSIHHNSBJNDXNO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H9ClO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
(5)Std. InChIKey: CSIHHNSBJNDXNO-UHFFFAOYSA-N