Basic information
- Name:
Quinazoline,2,4-dibromo-
- CAS No.:
872998-61-3
- Molecular Structure:
- Formula:
- C8H4Br2N2
- Molecular Weight:
- 287.9388
- Synonyms:
- 2,4-Dibromoquinazoline;
- Density:
- 2.023g/cm3
- Boiling Point:
- 406.583 °C at 760 mmHg
- Flash Point:
- 199.695 °C
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Specification
The Quinazoline,2,4-dibromo-, with CAS registry number 872998-61-3, has the systematic name of 2,4-dibromoquinazoline. Its molecular weight is 287.9388. And the chemical formula of this chemical is C8H4Br2N2.
Physical properties of Quinazoline,2,4-dibromo-: (1)ACD/LogP: 3.19; (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): 190; (6)ACD/BCF (pH 7.4): 190; (7)ACD/KOC (pH 5.5): 1486; (8)ACD/KOC (pH 7.4): 1486; (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: 1.71; (14)Molar Refractivity: 55.658 cm3; (15)Molar Volume: 142.366 cm3; (16)Polarizability: 22.065×10-24cm3; (17)Surface Tension: 62.563 dyne/cm; (18)Density: 2.023 g/cm3; (19)Flash Point: 199.695 °C; (20)Enthalpy of Vaporization: 63.273 kJ/mol; (21)Boiling Point: 406.583 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nc(Br)nc1c2cccc1
(2)InChI: InChI=1/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
(3)InChIKey: CDBAGRHVFMGOON-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
(5)Std. InChIKey: CDBAGRHVFMGOON-UHFFFAOYSA-N