CAS No.18529-01-6,4-CHLORO-6-FLUORO-2-METHYLQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18529-01-6
Name:	4-CHLORO-6-FLUORO-2-METHYLQUINOLINE
Article Data:	9

Formula:	C₁₀H₇ClFN
Molecular Weight:	195.624
Synonyms:	Quinaldine,4-chloro-6-fluoro- (8CI);4-Chloro-6-fluoro-2-methylquinoline;4-Chloro-6-fluoroquinaldine;
EINECS:	242-403-6
Density:	1.311 g/cm³
Melting Point:	59-60°C
Boiling Point:	269.9 °C at 760 mmHg
Flash Point:	117 °C
Risk Codes:	R41; R42/43
PSA:	12.89000
LogP:	3.33570

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Specification

This chemical is called Quinoline, 4-chloro-6-fluoro-2-methyl-, and its CAS registry number is 18529-01-6. With the molecular formula of C₁₀H₇ClFN, its molecular weight is 195.62. In addition, this chemical should be sealed in the ventilated and dry place.

Other characteristics of the Quinoline, 4-chloro-6-fluoro-2-methyl- can be summarised as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 183.71; (6)ACD/BCF (pH 7.4): 186.6; (7)ACD/KOC (pH 5.5): 1446.47; (8)ACD/KOC (pH 7.4): 1469.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 51.9 cm³; (15)Molar Volume: 149.2 cm³; (16)Polarizability: 20.57×10^-24cm³; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 48.75 kJ/mol; (21)Boiling Point: 269.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0117 mmHg at 25°C.

Uses of this chemical: The Quinoline, 4-chloro-6-fluoro-2-methyl- could react with 2,6-Dinitro-4-trifluormethylnatriumphenolat, and obtain the 4-(2,6-dinitro-4-trifluoromethyl-phenoxy)-6-fluoro-2-methyl-quinoline. This reaction needs the temperature 100 °C. The yield is 59 %.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc2nc(cc(Cl)c2c1)C
2.InChI: InChI=1/C10H7ClFN/c1-6-4-9(11)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3
3.InChIKey: GMMVVJJBQBYMNZ-UHFFFAOYAT