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| CAS No.: | 16499-64-2 |
|---|---|
| Name: | 4-chloro-6-(trifluoromethyl)quinazoline |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H4ClF3N2 |
| Molecular Weight: | 232.592 |
| Synonyms: | 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline |
| Density: | 1.496 g/cm3 |
| Boiling Point: | 285.815 °C at 760 mmHg |
| Flash Point: | 126.657 °C |
| Appearance: | white or almost white power |
| PSA: | 25.78000 |
| LogP: | 3.30200 |
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Specification
The 4-Chloro-6-(trifluoromethyl)quinazoline with the CAS number 16499-64-2 is also called Quinazoline,4-chloro-6-(trifluoromethyl)-. Its molecular formula is C9H4ClF3N2. The product category is chiral chemicals. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.41; (6)ACD/BCF (pH 7.4): 30.41; (7)ACD/KOC (pH 5.5): 401.01; (8)ACD/KOC (pH 7.4): 401.02; (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: 1.558; (14)Molar Refractivity: 50.15 cm3; (15)Molar Volume: 155.4 cm3; (16)Polarizability: 19.88×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 50.38 kJ/mol; (19)Vapour Pressure: 0.00472 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc2c(cc1)ncnc2Cl
(2)InChI: InChI=1/C9H4ClF3N2/c10-8-6-3-5(9(11,12)13)1-2-7(6)14-4-15-8/h1-4H
(3)InChIKey: OJNBXNWWYXBHGZ-UHFFFAOYAI