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| CAS No.: | 65679-71-2 |
|---|---|
| Name: | 3,6-DICHLORO-9-(OXIRAN-2-YLMETHYL)-9H-CARBAZOLE |
| Molecular Structure: | |
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| Formula: | C15H11Cl2NO |
| Molecular Weight: | 292.16 |
| Synonyms: | 9H-Carbazole, 3,6-dichloro-9-(oxiranylmethyl)- (9CI);MFCD00218276;2-[(3,6-Dichlorocarbazol-9-yl)methyl]oxirane; |
| Density: | 1.49 g/cm3 |
| Melting Point: | 143 °C |
| Boiling Point: | 468.7 °C at 760 mmHg |
| Flash Point: | 237.2 °C |
| Hazard Symbols: |
Xi
|
| PSA: | 17.46000 |
| LogP: | 4.50010 |
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The 9H-Carbazole, 3,6-dichloro-9-(2-oxiranylmethyl)-, with the CAS registry number 65679-71-2, is also known as 2-[(3,6-Dichlorocarbazol-9-yl)methyl]oxirane. This chemical's molecular formula is C15H11Cl2NO and molecular weight is 292.16. What's more, its systematic name is 3,6-dichloro-9-(oxiran-2-ylmethyl)-9H-carbazole.
Physical properties of 9H-Carbazole, 3,6-dichloro-9-(2-oxiranylmethyl)- are: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31; (4)ACD/LogD (pH 7.4): 5.31; (5)ACD/BCF (pH 5.5): 6390.89; (6)ACD/BCF (pH 7.4): 6390.89; (7)ACD/KOC (pH 5.5): 18433.68; (8)ACD/KOC (pH 7.4): 18433.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.46 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 76.02 cm3; (15)Molar Volume: 195.9 cm3; (16)Polarizability: 30.13×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 237.2 °C; (20)Enthalpy of Vaporization: 73.09 kJ/mol; (21)Boiling Point: 468.7 °C at 760 mmHg; (22)Vapour Pressure: 5.88E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c4c(n(c1cc2)CC3OC3)ccc(Cl)c4
(2)Std. InChI: InChI=1S/C15H11Cl2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
(3)Std. InChIKey: WQKPSQDZHVQBOF-UHFFFAOYSA-N