Isoquinoline,1,3-dichloro-7-methyl- (21902-37-4)

The 1,3-Dichloro-7-methylisoquinoline, with the CAS registry number 21902-37-4, belongs to the product categories of Blocks; Heterocycles; Quinolines and API Intermediates. Molecular formula of 1,3-Dichloro-7-methylisoquinoline is C₁₀H₇Cl₂N and its molecular weight is 212.07528. What's more, its systematic name is called 1,3-dichloro-7-methyl-isoquinoline.

Physical properties about this chemical are: (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: 12.89Ų; (9) Index of Refraction: 1.643; (10) Molar Refractivity: 56.8 cm³; (11) Molar Volume: 156.9 cm³; (12) Surface Tension: 48.7 dyne/cm; (13) Density: 1.351 g/cm³; (14) Flash Point: 177.3 °C; (15) Enthalpy of Vaporization: 54 kJ/mol; (16) Boiling Point: 320.7 °C at 760 mmHg; (17) Vapour Pressure: 0.000586 mmHg at 25 °C.

When you are dealing with this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

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