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CAS No.: | 50593-69-6 |
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Name: | 4,7-Dichloro-2-methylquinoline |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H7Cl2N |
Molecular Weight: | 212.078 |
Synonyms: | Quinoline, 4,7-dichloro-2-methyl-; |
Density: | 1.351 g/cm3 |
Melting Point: | 103.5-104 °C |
Boiling Point: | 301.3 °C at 760 mmHg |
Flash Point: | 164.4 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 12.89000 |
LogP: | 3.85000 |
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The 4, 7-Dichloro-2-methylquinoline, with the CAS registry number 50593-69-6, is also known as Quinoline, 4, 7-dichloro-2-methyl-. This chemical's molecular formula is C10H7Cl2N and molecular weight is 212.08. What's more, its systematic name is 4, 7-Dichloro-2-methylquinoline.
Physical properties about 4, 7-Dichloro-2-methylquinoline are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.643; (8)Molar Refractivity: 56.8 cm3; (9)Molar Volume: 156.9 cm3; (10)Polarizability: 22.51×10-24 cm3; (11)Surface Tension: 48.7 dyne/cm; (12)Density: 1.351 g/cm3; (13)Flash Point: 164.4 °C; (14)Enthalpy of Vaporization: 51.98 kJ/mol; (15)Boiling Point: 301.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0019 mmHg at 25 °C.
Preparation of 4, 7-Dichloro-2-methylquinoline: this chemical is prepared by 7-Chloro-2-methyl-quinolin-4-ol by heating. The reaction needs reagent POCl3. The reaction time is 1 hour with reaction temperature of 120 °C. The yield is about 80 %.
Uses of 4, 7-Dichloro-2-methylquinoline: it is used to produce other chemicals. For example, it is used to produce 4, 7-Dichloro-2-[4-(5-nitro-furan-2-yl)-buta-1, 3-dienyl]-quinoline. The reaction needs reagent ZnCl2. The reaction temperature is 135-155 °C. The yield is about 82.4 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2nc(cc(Cl)c2cc1)C
(2) InChI: InChI=1/C10H7Cl2N/c1-6-4-9(12)8-3-2-7(11)5-10(8)13-6/h2-5H,1H3
(3) InChIKey: QTYCALFKBCOYLW-UHFFFAOYAK