6-Methoxyisoquinoline supplier

Name
6-Methoxyisoquinoline
EINECS -0
CAS No. 52986-70-6
Article Data16
CAS DataBase
Density 1.131 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO
Boiling Point 295.593 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 108.428 °C
Transport Information
Appearance clear oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 6-METHOXY-ISOQUINOLINE;6-Methoxyisoquinoline 90%;6-methoxylisoquinoline;6-Methoxy-2-azanaphthalene
PSA 22.12000
LogP 2.24340

6-Methoxyisoquinoline Specification

The 6-Methoxyisoquinoline, with the CAS registry number 52986-70-6, is also known as isoquinoline, 6-methoxy-. Its molecular formula is C₁₀H₉NO and its product categories are Blocks; Heterocycles; Quinolines; Heterocyclic Series; Quinoline & Isoquinoline; API Intermediates; Aromatics. However, this chemical is clear oil whiche is irritant. Please be careful if you use it.

Other characteristics of the 6-Methoxyisoquinoline can be summarised as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 282; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 48.865 cm³; (15)Molar Volume: 140.775 cm³; (16)Polarizability: 19.372×10^-24cm³; (17)Surface Tension: 43.689 dyne/cm; (18)Density: 1.131 g/cm³; (19)Flash Point: 108.428 °C; (20)Enthalpy of Vaporization: 51.388 kJ/mol; (21)Boiling Point: 295.593 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1ccc2cnccc2c1
2.InChI: InChI=1/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
3.InChIKey: XZNUJESLPUNSNO-UHFFFAOYAR

Product Name

6-Methoxyisoquinoline

6-Methoxyisoquinoline Specification

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