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79836-44-5

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Basic Information
CAS No.: 79836-44-5
Name: 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
Article Data: 51
Molecular Structure:
Molecular Structure of 79836-44-5 (4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone)
Formula: C16H12Cl2O
Molecular Weight: 291.177
Synonyms: (?à)-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone;4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenone;4-(3,4-Dichlorophenyl)-1-oxo-1,2,3,4-tetrahydronaphthalene;4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalone;CP 52608;Sertralinetetralone;Sertralone;
Density: 1.318 g/cm3
Boiling Point: 403 °C at 760 mmHg
Flash Point: 170.3 °C
Risk Codes:  Xi:;
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PSA: 17.07000
LogP: 5.10180
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Specification

The 4-(3,4-Dichlorophenyl)tetralone, with the CAS registry number 79836-44-5, is also known as 1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-. This chemical's molecular formula is C16H12Cl2O and molecular weight is 291.1719. Its systematic name is called 4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one.

Physical properties of 4-(3,4-Dichlorophenyl)tetralone: (1)ACD/LogP: 4.99; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.618; (5)Molar Refractivity: 77.4 cm3; (6)Molar Volume: 220.8 cm3; (7)Surface Tension: 48.8 dyne/cm; (8)Density: 1.318 g/cm3; (9)Flash Point: 170.3 °C; (10)Enthalpy of Vaporization: 65.42 kJ/mol; (11)Boiling Point: 403 °C at 760 mmHg; (12)Vapour Pressure: 1.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3
(2)InChI: InChI=1/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2
(3)InChIKey: JGMBHJNMQVKDMW-UHFFFAOYAE