Isoquinoline, 1-chloro-4-methoxy- supplier

Name
1-CHLORO-4-METHOXYISOQUINOLINE
EINECS
CAS No. 3336-60-5
Article Data11
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClNO
Boiling Point 333.135 °C at 760 mmHg
Molecular Weight 193.633
Flash Point 155.275 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-4-methoxyisoquinoline;
PSA 22.12000
LogP 2.89680

Isoquinoline, 1-chloro-4-methoxy- Specification

The chemical with CAS registry number of 3336-60-5 is known as Isoquinoline, 1-chloro-4-methoxy-. The systematic name is 1-Chloro-4-methoxyisoquinoline. In addition, the formula is C₁₀H₈ClNO and the molecular weight is 193.63.

Physical properties about Isoquinoline, 1-chloro-4-methoxy- are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 126; (5)ACD/BCF (pH 7.4): 126; (6)ACD/KOC (pH 5.5): 1112; (7)ACD/KOC (pH 7.4): 1112; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 53.76 cm³; (12)Molar Volume: 152.726 cm³; (13)Surface Tension: 46.023 dyne/cm; (14)Density: 1.268 g/cm³; (15)Flash Point: 155.275 °C; (16)Enthalpy of Vaporization: 55.312 kJ/mol; (17)Boiling Point: 333.135 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: COc1cnc(Cl)c2ccccc12
2. InChI: InChI=1/C10H8ClNO/c1-13-9-6-12-10(11)8-5-3-2-4-7(8)9/h2-6H,1H3
3. InChIKey: MZWRTCSTQRDWGM-UHFFFAOYAV
4. Std. InChI: InChI=1S/C10H8ClNO/c1-13-9-6-12-10(11)8-5-3-2-4-7(8)9/h2-6H,1H3
5. Std. InChIKey: MZWRTCSTQRDWGM-UHFFFAOYSA-N

Product Name

1-CHLORO-4-METHOXYISOQUINOLINE

Isoquinoline, 1-chloro-4-methoxy- Specification

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