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| CAS No.: | 24050-49-5 |
|---|---|
| Name: | 3-BROMO-1,8-NAPHTHALIC ANHYDRIDE |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C12H5BrO3 |
| Molecular Weight: | 277.074 |
| Synonyms: | 3-Bromo-1,8-naphthalenedicarboxylicanhydride;3-Bromo-1,8-naphthalic anhydride;Naphthalicanhydride, 3-bromo- (6CI,7CI,8CI); |
| EINECS: | -0 |
| Density: | 1.812 g/cm3 |
| Melting Point: | 244-246°C |
| Boiling Point: | 468.9 °C at 760 mmHg |
| Flash Point: | 237.4 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 43.37000 |
| LogP: | 2.91290 |
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Specification
The 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-bromo-, with the CAS registry number 24050-49-5, has the systematic name of 5-bromo-1H,3H-benzo[de]isochromene-1,3-dione. It is a kind of moisture sensitive chemical, and the molecular formula of this chemical is C12H5BrO3.
The physical properties of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-bromo- are as following: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.733; (8)Molar Refractivity: 61.21 cm3; (9)Molar Volume: 152.8 cm3; (10)Polarizability: 24.26×10-24cm3; (11)Surface Tension: 68 dyne/cm; (12)Density: 1.812 g/cm3; (13)Flash Point: 237.4 °C; (14)Enthalpy of Vaporization: 73.11 kJ/mol; (15)Boiling Point: 468.9 °C at 760 mmHg; (16)Vapour Pressure: 5.78E-09 mmHg at 25°C.
Uses of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-bromo-: It can react with benzene-1,2-diamine to produce 2-bromo-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one. This reaction will need reagent acidic alumina. The reaction time is 9 minutes, and the yield is about 95%.
![1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-bromo- can react with benzene-1,2-diamine to produce 2-bromo-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one](/UserFilesUpload/Uses of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-bromo-.jpg)
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, 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(Br)cc1cccc3c12
(2)InChI: InChI=1/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H
(3)InChIKey: LYXFXCSFCWZGNZ-UHFFFAOYAN