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| CAS No.: | 868066-91-5 |
|---|---|
| Name: | 5-bromo-2-methylisoindolin-1-one |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C9H8BrNO |
| Molecular Weight: | 226.073 |
| Synonyms: | 5-Bromo-2-methyl-2,3-dihydroisoindol-1-one;1H-isoindol-1-one, 5-bromo-2,3-dihydro-2-methyl-; |
| Density: | 1.589 g/cm3 |
| Boiling Point: | 356.2 °C at 760 mmHg |
| Flash Point: | 169.2 °C |
| PSA: | 20.31000 |
| LogP: | 1.97260 |
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- Total:34 Page 1 of 1 1
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Specification
The 1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl-, with the CAS registry number 868066-91-5, has the systematic name of 5-bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C9H8BrNO.
The physical properties of 1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-methyl- are as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.13; (6)ACD/BCF (pH 7.4): 3.13; (7)ACD/KOC (pH 5.5): 78.82; (8)ACD/KOC (pH 7.4): 78.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 49.91 cm3; (15)Molar Volume: 142.2 cm3; (16)Polarizability: 19.78×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.589 g/cm3; (19)Flash Point: 169.2 °C; (20)Enthalpy of Vaporization: 60.14 kJ/mol; (21)Boiling Point: 356.2 °C at 760 mmHg; (22)Vapour Pressure: 2.98E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2C(=O)N(C)Cc2c1
(2)InChI: InChI=1/C9H8BrNO/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3
(3)InChIKey: WRFZBWHXIGUNLQ-UHFFFAOYAZ