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Quinazoline,6-bromo-2,4-dichloro-(CAS No. 102393-82-8)

Quinazoline,6-bromo-2,4-dichloro- C8H3BrCl2N2 (cas 102393-82-8) Molecular Structure

102393-82-8 Structure

Identification and Related Records

【Name】
Quinazoline,6-bromo-2,4-dichloro-
【CAS Registry number】
102393-82-8
【Synonyms】
6-Bromo-2,4-dichloroquinazoline
【Molecular Formula】
C8H3BrCl2N2 (Products with the same molecular formula)
【Molecular Weight】
277.93282
【Inchi】
InChI=1/C8H3BrCl2N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
【MOL File】
102393-82-8.mol

Chemical and Physical Properties

【Density】
1.852 g/cm3
【Boiling Point】
330.155 °C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.696
【Flash Point】
330.155 °C at 760 mmHg

Safety and Handling

【Specification】

The 6-Bromo-2,4-dichloroquinazoline with the cas number 102393-82-8 is also called Quinazoline,6-bromo-2,4-dichloro-. Its molecular formula is C8H3BrCl2N2. The product's category is CHIRAL CHEMICALS. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 277; (6)ACD/BCF (pH 7.4): 277; (7)ACD/KOC (pH 5.5): 1950; (8)ACD/KOC (pH 7.4): 1950; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 57.758 cm3; (15)Molar Volume: 150.083 cm3; (16)Polarizability: 22.897×10-24cm3; (17)Surface Tension: 62.291 dyne/cm; (18)Enthalpy of Vaporization: 54.997 kJ/mo; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(Cl)nc1c2cc(Br)cc1
(2)InChI: InChI=1/C8H3BrCl2N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
(3)InChIKey: LBAYOWRVZAKPLS-UHFFFAOYAI

Supplier Location

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