Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl)- supplier

Name
1-(4-CHLORO-1-HYDROXY-NAPHTHALEN-2-YL)-ETHANONE
EINECS
CAS No. 530740-47-7
Article Data8
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point 121 °C(Solv: ethanol (64-17-5))
Formula C₁₂H₉ClO₂
Boiling Point 380.3 °C at 760 mmHg
Molecular Weight 220.655
Flash Point 183.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Acetyl-4-chloro-1-hydroxynaphthalene;
PSA 37.30000
LogP 3.40140

Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl)- Specification

The Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl)-, with the CAS registry number 530740-47-7, is also known as 2-Acetyl-4-chloro-1-hydroxynaphthalene. This chemical's molecular formula is C₁₂H₉ClO₂ and molecular weight is 220.65. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Chloro-1-hydroxynaphthalen-2-yl)ethanone.

Physical properties about Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl)-: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 1260.44; (6)ACD/BCF (pH 7.4): 664.85; (7)ACD/KOC (pH 5.5): 5748.22; (8)ACD/KOC (pH 7.4): 3032.04; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 60.9 cm³; (15)Molar Volume: 165.4 cm³; (16)Surface Tension: 53.3 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 183.8 °C; (19)Enthalpy of Vaporization: 65.31 kJ/mol; (20)Boiling Point: 380.3 °C at 760 mmHg; (21)Vapour Pressure: 2.51E-06 mmHg at 25 °C.

Preparation of Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl)-: it can be obtained by 4-Chloro-[1]naphthol and Acetyl chloride. The reaction occurs with reagent TiCl₄ at temperature of 20-120 °C for 75 minutes. The yield is 63 %.

Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl- can be obtained by 4-Chloro-[1]naphthol and Acetyl chloride

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2c(O)c1ccccc1c(Cl)c2)C
(2) InChI: InChI=1/C12H9ClO2/c1-7(14)10-6-11(13)8-4-2-3-5-9(8)12(10)15/h2-6,15H,1H3
(3) InChIKey: NOFNICHETXGVBM-UHFFFAOYAV

Product Name

1-(4-CHLORO-1-HYDROXY-NAPHTHALEN-2-YL)-ETHANONE

Ethanone,1-(4-chloro-1-hydroxy-2-naphthalenyl)- Specification

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