Name: 2,4-DICHLORO-8-FLUORO-QUINAZOLINE
SKU: 959237-64-0

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Basic Information

Molecular Structure:
CAS No.:	959237-64-0
Name:	2,4-DICHLORO-8-FLUORO-QUINAZOLINE
Article Data:	3

Formula:	C₈H₃Cl₂FN₂
Molecular Weight:	217.03
Synonyms:	Quinazoline,2,4-dichloro-8-fluoro-;
Density:	1.571 g/cm³
Boiling Point:	277.3 °C at 760 mmHg
Flash Point:	121.5 °C
PSA:	25.78000
LogP:	3.07570

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Specification

The IUPAC name of this chemical is 2,4-Dichloro-8-fluoroquinazoline. With the CAS registry number 959237-64-0, it is also named as quinazoline, 2,4-dichloro-8-fluoro-. In addition, the molecular formula is C₈H₃Cl₂FN₂ and the molecular weight is 217.03. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.8; (4)ACD/BCF (pH 5.5): 78.6; (5)ACD/BCF (pH 7.4): 78.6; (6)ACD/KOC (pH 5.5): 791.34; (7)ACD/KOC (pH 7.4): 791.34; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å²; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 50.06 cm³; (12)Molar Volume: 138.1 cm³; (13)Polarizability: 19.84 ×10^-24cm³; (14)Surface Tension: 56.2 dyne/cm; (15)Density: 1.571 g/cm³; (16)Flash Point: 121.5 °C; (17)Enthalpy of Vaporization: 49.51 kJ/mol; (18)Boiling Point: 277.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00772 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(Cl)nc1c2cccc1F
(2)InChI: InChI=1/C8H3Cl2FN2/c9-7-4-2-1-3-5(11)6(4)12-8(10)13-7/h1-3H
(3)InChIKey: VXSUTXKJWJUPLJ-UHFFFAOYAU