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CAS No.: | 7797-81-1 |
---|---|
Name: | N-HYDROXYNAPHTHALIMIDE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C12H7NO3 |
Molecular Weight: | 213.192 |
Synonyms: | Naphthalimide,N-hydroxy- (6CI,7CI,8CI);N-Hydroxy-1,8-naphthalimide;N-Hydroxynaphthalimide;NSC 108691;Naphthalhydroxamic acid;2-Hydroxybenzo[de]isoquinoline-1,3-dione; |
EINECS: | 232-251-9 |
Density: | 1.594 g/cm3 |
Melting Point: | 245 °C |
Boiling Point: | 482.9 °C at 760 mmHg |
Flash Point: | 245.8 °C |
Solubility: | Insoluble in water. |
Appearance: | Slightly yellow to beige-brown cryst. powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 59.30000 |
LogP: | 1.19000 |
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The 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-hydroxy-, with the CAS registry number 7797-81-1, is also known as N-Hydroxynaphthalimide. Its EINECS number is 232-251-9. This chemical's molecular formula is C12H7NO3 and molecular weight is 213.19. What's more, its systematic name is 2-hydroxybenzo[de]isoquinoline-1,3-dione. It should be sealed and stored in a cool and dry place.
Physical properties of 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-hydroxy- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 3.69; (6)ACD/BCF (pH 7.4): 1.96; (7)ACD/KOC (pH 5.5): 88.4; (8)ACD/KOC (pH 7.4): 47.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.798; (14)Molar Refractivity: 57.07 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 22.62×10-24cm3; (17)Surface Tension: 89.3 dyne/cm; (18)Density: 1.594 g/cm3; (19)Flash Point: 245.8 °C; (20)Enthalpy of Vaporization: 78.78 kJ/mol; (21)Boiling Point: 482.9 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-10 mmHg at 25°C.
Preparation of 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-hydroxy-: this chemical can be prepared by naphthalene-1,8-dicarboxylic acid anhydride by heating. This reaction will need reagents NH2OH·HCl, K2CO3 and solvent aq. ethanol with the reaction time of 9 hours. The yield is about 94%.
Uses of 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-hydroxy-: it can be used to produce 2-oxiranylmethoxy-benzo[de]isoquinoline-1,3-dione at the temperature of 65 - 70 °C. It will need reagent triethylamine and solvent dimethylformamide with the reaction time of 6 hours. The yield is about 63%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O
(2)InChI: InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H
(3)InChIKey: KTWCUGUUDHJVIH-UHFFFAOYSA-N