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CAS No.: | 17702-83-9 |
---|---|
Name: | N-(8-BROMOOCTYL)PHTHALIMIDE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C16H20BrNO2 |
Molecular Weight: | 338.244 |
Synonyms: | Phthalimide,N-(8-bromooctyl)- (8CI);2-(8-Bromooctyl)isoindole-1,3-dione;8-Bromooctylphthalimide;N-(8-Bromooctyl)phthalimide;NSC 76815; |
Density: | 1.34 g/cm3 |
Melting Point: | 49-56 °C |
Boiling Point: | 429.7 °C at 760 mmHg |
Flash Point: | 213.7 °C |
Appearance: | white to beige or light brown crystalline powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 37.38000 |
LogP: | 3.95600 |
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The 1H-Isoindole-1,3(2H)-dione,2-(8-bromooctyl)-, with the CAS registry number 17702-83-9, has the systematic name of 2-(8-bromooctyl)-1H-isoindole-1,3(2H)-dione. It is a kind of white to beige or light brown crystalline powder, and the molecular formula of the chemical is C16H20BrNO2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of 1H-Isoindole-1,3(2H)-dione,2-(8-bromooctyl)- are as followings: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 82.49 cm3; (9)Molar Volume: 252.3 cm3; (10)Polarizability: 32.7×10-24cm3; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 213.7 °C; (14)Enthalpy of Vaporization: 68.5 kJ/mol; (15)Boiling Point: 429.7 °C at 760 mmHg; (16)Vapour Pressure: 1.38E-07 mmHg at 25°C.
Preparation of 1H-Isoindole-1,3(2H)-dione,2-(8-bromooctyl)-: This chemical can be prepared by 1,8-dibromo-octane and phthalimide; potassium salt. The reaction will need reagent acetone. The reaction time is 24 hours with heating, and the yield is about 60%.
Uses of 1H-Isoindole-1,3(2H)-dione,2-(8-bromooctyl)-: It can react with methanethiol; sodium salt to produce N-(8-methylsulfanyl-octyl)-phthalimide. This reaction will need the menstruum dimethylsulfoxide. The reaction time is 12 hours with ambient temperature, and the yield is about 71%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCCCCCCCBr
(2)InChI: InChI=1/C16H20BrNO2/c17-11-7-3-1-2-4-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h5-6,9-10H,1-4,7-8,11-12H2
(3)InChIKey: LAMUQORCSIHVMC-UHFFFAOYAZ