8-Bromo-1,2,3,4-tetrahydroisoquinoline supplier

Name
8-Bromo-1,2,3,4-tetrahydroisoquinoline
EINECS -0
CAS No. 75416-51-2
Article Data1
CAS DataBase
Density 1.428 g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrN
Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 212.089
Flash Point 131.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Bromo-1,2,3,4-tetrahydroisoquinoline;
PSA 12.03000
LogP 2.42360

8-Bromo-1,2,3,4-tetrahydroisoquinoline Specification

The chemical with CAS registry number of 75416-51-2 is known as 8-Bromo-1,2,3,4-tetrahydroisoquinoline. The systematic name is 8-Bromo-1,2,3,4-tetrahydroisoquinoline. In addition, the formula is C₉H₁₀BrN and the molecular weight is 212.09.

Physical properties about 8-Bromo-1,2,3,4-tetrahydroisoquinoline are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 7.4): 0.69; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 11.89; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)Index of Refraction: 1.58; (10)Molar Refractivity: 49.46 cm³; (11)Molar Volume: 148.4 cm³; (12)Surface Tension: 41.4 dyne/cm; (13)Density: 1.428 g/cm³; (14)Flash Point: 131.8 °C; (15)Enthalpy of Vaporization: 53.4 kJ/mol; (16)Boiling Point: 294.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00163 mmHg at 25 °C.

Preparation of 8-Bromo-1,2,3,4-tetrahydroisoquinoline: it is prepared by reaction of C₉H₁₂BrNO*ClH. The reaction needs reagent NH₄Cl and catalyst AlCl₃ at the temperature of 185 °C for 15 hours. The yield is about 59%.

8-Bromo-1,2,3,4-tetrahydroisoquinoline is prepared by reaction of C9H12BrNO*ClH.

You can still convert the following datas into molecular structure:
1. SMILES: Brc2cccc1CCNCc12
2. InChI: InChI=1/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
3. InChIKey: KHWGHUZYXQPIKA-UHFFFAOYAS
4. Std. InChI: InChI=1S/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
5. Std. InChIKey: KHWGHUZYXQPIKA-UHFFFAOYSA-N

Product Name

8-Bromo-1,2,3,4-tetrahydroisoquinoline

8-Bromo-1,2,3,4-tetrahydroisoquinoline Specification

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