-
Name
4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
- EINECS
- CAS No. 124345-10-4
- Density 1.41g/cm3
- Solubility
- Melting Point
- Formula C16H12Cl2O2
- Boiling Point 451.1 °C at 760 mmHg
- Molecular Weight 307.17
- Flash Point 226.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydronaphthalen-1(2H)-one;1(2H)-naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-2-hydroxy-;
- PSA 37.30000
- LogP 4.07260
4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one Specification
The 4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one, with CAS registry number 124345-10-4, belongs to the following product category: Metabolites. It has the systematic name of 4-(3,4-dichlorophenyl)-2-hydroxy-tetralin-1-one. And this chemical is a kind of dark orange oil.
Physical properties of 4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å2; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 78.99 cm3; (11)Molar Volume: 217.8 cm3; (12)Polarizability: 31.31×10-24cm3; (13)Surface Tension: 57.1 dyne/cm; (14)Enthalpy of Vaporization: 74.83 kJ/mol; (15)Vapour Pressure: 6.31E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(CC(C2=O)O)c3ccc(c(c3)Cl)Cl
(2)InChI: InChI=1/C16H12Cl2O2/c17-13-6-5-9(7-14(13)18)12-8-15(19)16(20)11-4-2-1-3-10(11)12/h1-7,12,15,19H,8H2
(3)InChIKey: KVZFTTORFMNPDL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C16H12Cl2O2/c17-13-6-5-9(7-14(13)18)12-8-15(19)16(20)11-4-2-1-3-10(11)12/h1-7,12,15,19H,8H2
(5)Std. InChIKey: KVZFTTORFMNPDL-UHFFFAOYSA-N
Related Products
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