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5-Hydroxy-1-indanone

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Name

5-Hydroxy-1-indanone

EINECS N/A
CAS No. 3470-49-3 Density 1.306 g/cm3
PSA 37.30000 LogP 1.52110
Solubility N/A Melting Point 175 °C (dec.)(lit.)
Formula C9H8O2 Boiling Point 343.791 °C at 760 mmHg
Molecular Weight 148.161 Flash Point 146.4 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36/37/39-27 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3470-49-3 (5-Hydroxy-1-indanone) Hazard Symbols IrritantXi
Synonyms

1-Indanone,5-hydroxy- (6CI,7CI,8CI);1-Oxo-5-indanol;5-Hydroxy-6-indan-1-one;NSC 31249;

 

5-Hydroxy-1-indanone Specification

5-Hydroxy-1-indanone, with the CAS registry number 3470-49-3, is also named as 5-Hydroxy-6-indan-1-one. It belongs to the product categories of Indanone & Indene; C9; Carbonyl Compounds; Ketones. This chemical's molecular formula is C9H8O2 and molecular weight is 148.16. What's more, its systematic name is 5-Hydroxy-1-indanone. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from light.

Physical properties of 5-Hydroxy-1-indanone are: (1)ACD/LogP: 1.105; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.10; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 4.06; (6)ACD/BCF (pH 7.4): 3.46; (7)ACD/KOC (pH 5.5): 94.87; (8)ACD/KOC (pH 7.4): 80.70; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 40.439 cm3; (15)Molar Volume: 113.452 cm3; (16)Polarizability: 16.031×10-24cm3; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 146.376 °C; (20)Enthalpy of Vaporization: 61.093 kJ/mol; (21)Boiling Point: 343.791 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-(3-hydroxy-phenyl)-propionic acid at the temperature of 180 - 200 °C. This reaction will need reagents AlCl3, NaCl with the reaction time of 2 min. The yield is about 53%.

5-Hydroxy-1-indanone can be prepared by 3-(3-hydroxy-phenyl)-propionic acid at the temperature of 180 - 200 °C

Uses of 5-Hydroxy-1-indanone: it can be used to produce 5-benzyloxy-indan-1-one at the temperature of 100 °C. It will need reagent K2CO3/KI and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 79%.

5-Hydroxy-1-indanone can be used to produce 5-benzyloxy-indan-1-one at the temperature of 100 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1O)CCC2=O
(2)Std. InChI: InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
(3)Std. InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N  

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