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| CAS No.: | 84803-46-3 |
|---|---|
| Name: | 3-(4-CHLOROPHENYL) GLUTARIMIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H10ClNO2 |
| Molecular Weight: | 223.659 |
| Synonyms: | 3-(4-Chlorophenyl) glutarimide; |
| EINECS: | 284-171-9 |
| Density: | 1.303 g/cm3 |
| Melting Point: | 160 °C(Solv: toluene (108-88-3)) |
| Boiling Point: | 418.7 °C at 760 mmHg |
| Flash Point: | 207 °C |
| PSA: | 46.17000 |
| LogP: | 2.18900 |
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Specification
The 4-(4-Chlorophenyl)piperidine-2,6-dione, with the CAS registry number 84803-46-3, is also known as 3-(4-Chlorophenyl) glutarimide. It belongs to the product categories of Aromatics; Heterocycles. Its EINECS registry number is 284-171-9. This chemical's molecular formula is C11H10ClNO2 and molecular weight is 223.66. What's more, both its IUPAC name and systematic name are the same which is called 4-(4-Chlorophenyl)piperidine-2,6-dione.
Physical properties about 4-(4-Chlorophenyl)piperidine-2,6-dione are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 28.16; (6)ACD/BCF (pH 7.4): 28.16; (7)ACD/KOC (pH 5.5): 379.58; (8)ACD/KOC (pH 7.4): 379.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 56 cm3; (15)Molar Volume: 171.6 cm3; (16)Surface Tension: 46.5 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 207 °C; (19)Enthalpy of Vaporization: 67.23 kJ/mol; (20)Boiling Point: 418.7 °C at 760 mmHg; (21)Vapour Pressure: 3.21E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2NC(=O)CC(c1ccc(Cl)cc1)C2
(2) InChI: InChI=1/C11H10ClNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
(3) InChIKey: KOZWYRYCGOBBKD-UHFFFAOYAG