CAS No.18615-59-3,4-CHLORO-8-FLUORO-2-METHYLQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18615-59-3
Name:	4-CHLORO-8-FLUORO-2-METHYLQUINOLINE
Article Data:	2

Formula:	C₁₀H₇ClFN
Molecular Weight:	195.624
Synonyms:	Quinaldine,4-chloro-8-fluoro- (8CI);4-Chloro-8-fluoro-2-methylquinoline;
Density:	1.311 g/cm³
Boiling Point:	269.859 °C at 760 mmHg
Flash Point:	117.007 °C
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-39
PSA:	12.89000
LogP:	3.33570

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Specification

This chemical is called Quinoline, 4-chloro-8-fluoro-2-methyl-, and its systematic name is 4-Chloro-8-fluoro-2-methylquinoline. With the molecular formula of C₁₀H₇ClFN, its CAS registry number is 18615-59-3. It's stable at normal temperature and pressure. But it should be sealed in the cool and dry place, away from oxides.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 205; (6)ACD/BCF (pH 7.4): 205; (7)ACD/KOC (pH 5.5): 1573; (8)ACD/KOC (pH 7.4): 1573; (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: 149.209 cm³; (16)Polarizability: 20.575×10^-24cm³; (17)Surface Tension: 44.739 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 117.007 °C; (20)Enthalpy of Vaporization: 48.755 kJ/mol; (21)Boiling Point: 269.859 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cccc2c(Cl)cc(C)nc12
2.InChI: InChI=1/C10H7ClFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
3.InChIKey: PKLIYBDVJXLAHP-UHFFFAOYAR