-
Name
4-CHLORO-2-(TRIFLUOROMETHYL)QUINAZOLINE
- EINECS
- CAS No. 52353-35-2
- Article Data16
- CAS DataBase
- Density 1.496 g/cm3
- Solubility
- Melting Point 65-68 °C
- Formula C9H4ClF3N2
- Boiling Point 171.2 °C at 760 mmHg
- Molecular Weight 232.592
- Flash Point 57.3 °C
- Transport Information
- Appearance powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-CHLORO-2-(TRIFLUOROMETHYL)QUINAZOLINE
- PSA 25.78000
- LogP 3.30200
Quinazoline,4-chloro-2-(trifluoromethyl)- Specification
The Quinazoline,4-chloro-2-(trifluoromethyl)-, with CAS registry number 52353-35-2, has the systematic name of 4-chloro-2-(trifluoromethyl)quinazoline. Its molecular formula is C9H4ClF3N2 and its molecular weight is 232.59. However, this chemical is powder and it should be sealed in the cool and dry place where the room is ventilated.
Other characteristics of the Quinazoline,4-chloro-2-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.37; (6)ACD/BCF (pH 7.4): 72.37; (7)ACD/KOC (pH 5.5): 745.87; (8)ACD/KOC (pH 7.4): 745.87; (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)Density: 1.496 g/cm3; (19)Flash Point: 57.3 °C; (20)Enthalpy of Vaporization: 39.08 kJ/mol; (21)Boiling Point: 171.2 °C at 760 mmHg; (22)Vapour Pressure: 1.88 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2nc1c(cccc1)c(Cl)n2
(2)InChI: InChI=1/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
(3)InChIKey: DLJSNOYNVQOJLU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
(5)Std. InChIKey: DLJSNOYNVQOJLU-UHFFFAOYSA-N
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