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CAS No.: | 23204-36-6 |
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Name: | 3-HYDROXY-1,8-NAPHTHALIC ANHYDRIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H6O4 |
Molecular Weight: | 214.177 |
Synonyms: | Naphthalicanhydride, 3-hydroxy- (8CI);3-Hydroxy-1,8-naphthalenedicarboxylic anhydride;3-Hydroxy-1,8-naphthalic anhydride;3-Hydroxynaphthalic anhydride;5-Hydroxy-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; |
Density: | 1.585 g/cm3 |
Melting Point: | 281 °C |
Boiling Point: | 509.4 °C at 760 mmHg |
Flash Point: | 210.8 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 63.60000 |
LogP: | 1.85600 |
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The 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-hydroxy-, with the CAS registry number 23204-36-6, has the systematic name of 5-hydroxy-1H,3H-benzo[de]isochromene-1,3-dione. It belongs to the product categories of Intermediates of Dyes and Pigments. And the molecular formula of this chemical is C12H6O4.
The physical properties of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-hydroxy- are as following: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02 ; (4) ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 3.48; (6)ACD/BCF (pH 7.4): 2.69; (7)ACD/KOC (pH 5.5): 84.89; (8)ACD/KOC (pH 7.4): 65.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.756; (14)Molar Refractivity: 55.4 cm3; (15)Molar Volume: 135.1 cm3; (16)Polarizability: 21.96×10-24cm3; (17)Surface Tension: 79.3 dyne/cm; (18)Density: 1.585 g/cm3; (19)Flash Point: 210.8 °C; (20)Enthalpy of Vaporization: 80.94 kJ/mol; (21)Boiling Point: 509.4 °C at 760 mmHg; (22)Vapour Pressure: 5.36E-11 mmHg at 25°C.
Uses of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-hydroxy-: It can react with 2-pyrrolidin-1-yl-ethylamine to produce 5-hydroxy-2-(2-pyrrolidin-1-yl-ethyl)-benzo[de]isoquinoline-1,3-dione. This reaction will need solvent ethanol. The reaction time is 2 hours ambient temperature, and the yield is about 81%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3OC(=O)c2cc(O)cc1cccc3c12
(2)InChI: InChI=1/C12H6O4/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5,13H
(3)InChIKey: FKVNZFAMXGMPOU-UHFFFAOYAQ