Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl- supplier

Name
7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
EINECS
CAS No. 848185-12-6
Article Data2
CAS DataBase
Density 1.342 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂BrN
Boiling Point 288.8 °C at 760 mmHg
Molecular Weight 226.116
Flash Point 128.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;
PSA 12.03000
LogP 2.81210

Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl- Specification

The chemical with CAS registry number of 848185-12-6 is also known as Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl-. The systematic name is 7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline. In addition, the formula is C₁₀H₁₂BrN and the molecular weight is 226.11.

Physical properties about Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl- are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 7.4): 0.88; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.02; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 10.98; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)Index of Refraction: 1.556; (10)Molar Refractivity: 54.17 cm³; (11)Molar Volume: 168.4 cm³; (12)Surface Tension: 37.2 dyne/cm; (13)Density: 1.342 g/cm³; (14)Flash Point: 128.4 °C; (15)Enthalpy of Vaporization: 52.8 kJ/mol; (16)Boiling Point: 288.8 °C at 760 mmHg; (17)Vapour Pressure: 0.00229 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC1Cc2ccc(cc2CN1)Br
2. InChI: InChI=1/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3
3. InChIKey: ROFNCPGXJWHJIZ-UHFFFAOYAG
4. Std. InChI: InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3
5. Std. InChIKey: ROFNCPGXJWHJIZ-UHFFFAOYSA-N

Product Name

7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline

Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-methyl- Specification

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