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| CAS No.: | 17680-55-6 |
|---|---|
| Name: | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C9H10BrN |
| Molecular Weight: | 212.089 |
| Synonyms: | 7-Bromo-1,2,3,4-Tetrahydro-Isoquinoline; |
| EINECS: | -0 |
| Density: | 1.428 g/cm3 |
| Melting Point: | 32-35 °C |
| Boiling Point: | 282.908 °C at 760 mmHg |
| Flash Point: | 124.899 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 12.03000 |
| LogP: | 2.42360 |
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Specification
The 7-Bromo-1,2,3,4-tetrahydroisoquinoline, with the CAS registry number 17680-55-6, is also known as Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-. This chemical's molecular formula is C9H10BrN and molecular weight is 212.09. Its IUPAC name and systematic name are the same which is called 7-bromo-1,2,3,4-tetrahydroisoquinoline.
Physical properties of 7-Bromo-1,2,3,4-tetrahydroisoquinoline: (1)ACD/LogP: 2.64; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 7; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)Index of Refraction: 1.581; (9)Molar Refractivity: 49.465 cm3; (10)Molar Volume: 148.481 cm3; (11)Surface Tension: 41.475 dyne/cm; (12)Density: 1.428 g/cm3; (13)Melting Point: 32-35 °C; (14)Flash Point: 124.899 °C; (15)Enthalpy of Vaporization: 52.18 kJ/mol; (16)Boiling Point: 282.908 °C at 760 mmHg; (17)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCC2=C1C=CC(=C2)Br
(2)InChI: InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
(3)InChIKey: OYODEQFZAJVROF-UHFFFAOYSA-N