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226942-29-6

Basic Information
CAS No.: 226942-29-6
Name: 6-bromo-1,2,3,4-tetrahydroisoquinoline
Article Data: 14
Molecular Structure:
Molecular Structure of 226942-29-6 (6-bromo-1,2,3,4-tetrahydroisoquinoline)
Formula: C9H10BrN
Molecular Weight: 212.089
Synonyms: Isoquinoline,6-bromo-1,2,3,4-tetrahydro; 6-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;
EINECS: 829-331-6
Density: 1.428 g/cm3
Boiling Point: 282.9 °C at 760 mmHg
Flash Point: 124.9 °C
PSA: 12.03000
LogP: 2.42360
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Chemistry

Empirical Formula of Isoquinoline, 6-bromo-1,2,3,4-tetrahydro- (CAS NO.226942-29-6): C9H10BrN
Molecular Weight: 212.0864
Nominal Mass: 211 Da
Average Mass: 212.0864 Da
Monoisotopic Mass: 210.999654 Da 
Index of Refraction: 1.58
Molar Refractivity: 49.46 cm3
Molar Volume: 148.4 cm3
Surface Tension: 41.4 dyne/cm
Density: 1.428 g/cm3
Flash Point: 124.9 °C
Enthalpy of Vaporization: 52.18 kJ/mol
Boiling Point: 282.9 °C at 760 mmHg
Vapour Pressure: 0.00326 mmHg at 25 °C
Structure of Isoquinoline, 6-bromo-1,2,3,4-tetrahydro- (CAS NO.226942-29-6):
                     
Systematic Name: 6-Bromo-1,2,3,4-tetrahydroisoquinoline
SMILES: Brc1ccc2CNCCc2c1 
InChI: InChI=1/C9H10BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2 
InChIKey: URDGCPQHZSDBRG-UHFFFAOYAD
Std. InChI: InChI=1S/C9H10BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2 
Std. InChIKey: URDGCPQHZSDBRG-UHFFFAOYSA-N

Specification

 Isoquinoline, 6-bromo-1,2,3,4-tetrahydro- (CAS NO.226942-29-6) also can be called 6-Bromo-1,2,3,4-tetrahydroisoquinoline .