Isoquinoline,4-bromo-1-methoxy- supplier

Name
4-BROMO-1-METHOXYISOQUINOLINE
EINECS
CAS No. 746668-73-5
Article Data5
CAS DataBase
Density 1.516 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-1-methoxyisoquinoline;
PSA 22.12000
LogP 3.00590

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

Product Name

4-BROMO-1-METHOXYISOQUINOLINE

Isoquinoline,4-bromo-1-methoxy- Specification

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