Basic information
- Name:
Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-
- Superlist Name:
- 7-Bromo-1,2,3,4-tetrahydroisoquinoline
- CAS No.:
17680-55-6
- Molecular Structure:
- Formula:
- C9H10BrN
- Molecular Weight:
- 212.09
- Synonyms:
- 7-Bromo-1,2,3,4-Tetrahydro-Isoquinoline;
- Density:
- 1.428 g/cm3
- Melting Point:
- 32-35 °C
- Boiling Point:
- 282.908 °C at 760 mmHg
- Flash Point:
- 124.899 °C
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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
