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Isoquinoline,4-bromo-1-methoxy-

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Name

Isoquinoline,4-bromo-1-methoxy-

EINECS N/A
CAS No. 746668-73-5 Density 1.516 g/cm3
PSA 22.12000 LogP 3.00590
Solubility N/A Melting Point 53-55℃ (ethanol )
Formula C10H8BrNO Boiling Point 315.6 °C at 760 mmHg
Molecular Weight 238.084 Flash Point 144.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 746668-73-5 (4-BROMO-1-METHOXYISOQUINOLINE) Hazard Symbols N/A
Synonyms

4-Bromo-1-methoxyisoquinoline;

Article Data 5

Isoquinoline,4-bromo-1-methoxy- Specification

The chemical with CAS registry number of 746668-73-5 is known as Isoquinoline,4-bromo-1-methoxy-. The systematic name is 4-Bromo-1-methoxyisoquinoline. In addition, the formula is C10H8BrNO and the molecular weight is 238.08.

Physical properties about Isoquinoline,4-bromo-1-methoxy- are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.84; (3)ACD/LogD (pH 7.4): 3.84; (4)ACD/BCF (pH 5.5): 487.33; (5)ACD/BCF (pH 7.4): 487.35; (6)ACD/KOC (pH 5.5): 2921.09; (7)ACD/KOC (pH 7.4): 2921.18; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.64; (11)Molar Refractivity: 56.55 cm3; (12)Molar Volume: 156.9 cm3; (13)Surface Tension: 47.6 dyne/cm; (14)Density: 1.516 g/cm3; (15)Flash Point: 144.6 °C; (16)Enthalpy of Vaporization: 53.46 kJ/mol; (17)Boiling Point: 315.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000803 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: COc1c2ccccc2c(cn1)Br
2. InChI: InChI=1/C10H8BrNO/c1-13-10-8-5-3-2-4-7(8)9(11)6-12-10/h2-6H,1H3
3. InChIKey: BQMVHRXGXCDQEW-UHFFFAOYAK
4. Std. InChI: InChI=1S/C10H8BrNO/c1-13-10-8-5-3-2-4-7(8)9(11)6-12-10/h2-6H,1H3
5. Std. InChIKey: BQMVHRXGXCDQEW-UHFFFAOYSA-N

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