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Quinazoline,4-chloro-2-(trifluoromethyl)-

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Name

Quinazoline,4-chloro-2-(trifluoromethyl)-

EINECS N/A
CAS No. 52353-35-2 Density 1.496 g/cm3
PSA 25.78000 LogP 3.30200
Solubility N/A 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 N/A Appearance powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52353-35-2 (4-CHLORO-2-(TRIFLUOROMETHYL)QUINAZOLINE) Hazard Symbols N/A
Synonyms

4-CHLORO-2-(TRIFLUOROMETHYL)QUINAZOLINE

Article Data 16

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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