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| CAS No.: | 331647-05-3 |
|---|---|
| Name: | 8-BROMO-2,4-DICHLOROQUINAZOLINE |
| Molecular Structure: | |
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| Formula: | C8H3BrCl2N2 |
| Molecular Weight: | 275.89 |
| Synonyms: | 2,4-Dichloro-8-bromoquinazoline; |
| Density: | 1.852 g/cm3 |
| Boiling Point: | 248.2 °C at 760 mmHg |
| Flash Point: | 103.9 °C |
| PSA: | 25.78000 |
| LogP: | 3.69910 |
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Specification
The Quinazoline, 8-bromo-2,4-dichloro-, with the CAS registry number 331647-05-3, is also known as 2,4-Dichloro-8-bromoquinazoline. This chemical's molecular formula is C8H3BrCl2N2 and molecular weight is 277.93. What's more, its IUPAC name is 8-bromo-2,4-dichloroquinazoline.
Physical properties of Quinazoline, 8-bromo-2,4-dichloro- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/BCF (pH 5.5): 277.1; (5)ACD/KOC (pH 5.5): 1950.04; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.696; (11)Molar Refractivity: 57.75 cm3; (12)Molar Volume: 150 cm3; (13)Polarizability: 22.89×10-24cm3; (14)Surface Tension: 62.2 dyne/cm; (15)Density: 1.851 g/cm3; (16)Flash Point: 103.9 °C; (17)Enthalpy of Vaporization: 46.57 kJ/mol; (18)Boiling Point: 248.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0388 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)Br)N=C(N=C2Cl)Cl
(2)InChI: InChI=1S/C8H3BrCl2N2/c9-5-3-1-2-4-6(5)12-8(11)13-7(4)10/h1-3H
(3)InChIKey: BHXJPWCPEFXWMH-UHFFFAOYSA-N