Basic Information | Post buying leads | Suppliers |
Name |
6,7-Dichloro-2-tetralone |
EINECS | N/A |
CAS No. | 17556-22-8 | Density | 1.372g/cm3 |
PSA | 17.07000 | LogP | 3.05120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8Cl2O | Boiling Point | 337.7 °C at 760 mmHg |
Molecular Weight | 215.079 | Flash Point | 142.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6,7-Dichloro-2-tetralone; |
The 6,7-Dichloro-2-tetralone, with CAS registry number 17556-22-8, has the systematic name of 6,7-dichloro-3,4-dihydronaphthalen-2(1H)-one.
Physical properties about this chemical are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.85; (6)ACD/BCF (pH 7.4): 77.85; (7)ACD/KOC (pH 5.5): 785.88; (8)ACD/KOC (pH 7.4): 785.88; (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: 1.591; (14)Molar Refractivity: 52.95 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 20.99×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Enthalpy of Vaporization: 58.09 kJ/mol; (19)Vapour Pressure: 0.000103 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(Cl)cc2c(c1)CC(=O)CC2
(2)InChI: InChI=1/C10H8Cl2O/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h4-5H,1-3H2
(3)InChIKey: BEZIJCXXAGNMFX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8Cl2O/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h4-5H,1-3H2
(5)Std. InChIKey: BEZIJCXXAGNMFX-UHFFFAOYSA-N