1,3-Dichloro-5-methylisoquinoline supplier

Name
1,3-Dichloro-5-methylisoquinoline
EINECS
CAS No. 21902-40-9
Article Data3
CAS DataBase
Density 1.351g/cm³
Solubility
Melting Point
Formula C₁₀H₇Cl₂N
Boiling Point 320.7 °C at 760 mmHg
Molecular Weight 212.078
Flash Point 177.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dichloro-5-methylisoquinoline;
PSA 12.89000
LogP 3.85000

1,3-Dichloro-5-methylisoquinoline Specification

The 1,3-Dichloro-5-methylisoquinoline, with CAS registry number 21902-40-9, belongs to the following product category: API intermediates. It has the systematic name of 1,3-dichloro-7-methyl-isoquinoline. Besides this, it is also called 1,3-Dichloro-5-methylisoquinoline. And the chemical formula of this chemical is C₁₀H₇Cl₂N.

Physical properties of 1,3-Dichloro-5-methylisoquinoline: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å²; (9)Index of Refraction: 1.643; (10)Molar Refractivity: 56.8 cm³; (11)Molar Volume: 156.9 cm³; (12)Polarizability: 22.51×10^-24cm³; (13)Surface Tension: 48.7 dyne/cm; (14)Density: 1.351 g/cm³; (15)Flash Point: 177.3 °C; (16)Enthalpy of Vaporization: 54 kJ/mol; (17)Boiling Point: 320.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000586 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(Cl)cc1ccc(C)cc12
(2)InChI: InChI=1/C10H7Cl2N/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6/h2-5H,1H3
(3)InChIKey: BPEFMJHEHCHWPC-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H7Cl2N/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6/h2-5H,1H3
(5)Std. InChIKey: BPEFMJHEHCHWPC-UHFFFAOYSA-N

Product Name

1,3-Dichloro-5-methylisoquinoline

1,3-Dichloro-5-methylisoquinoline Specification

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