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| CAS No.: | 79080-31-2 |
|---|---|
| Name: | 1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE |
| Molecular Structure: | |
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|
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| Formula: | C6H7F3N2 |
| Molecular Weight: | 164.13 |
| Synonyms: | 1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE;1,5-DiMethyl-3-(trifluoroMethyl)pyrazole |
| EINECS: | 200-258-5 |
| Density: | 1.279 g/cm3 |
| Boiling Point: | 151.844 °C at 760 mmHg |
| Flash Point: | 45.634 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.82000 |
| LogP: | 1.74730 |
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Specification
The 1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)- has CAS registry number 79080-31-2. It belongs to the product categories of Pyrazoles & Triazoles; Pyrazoles & Triazoles. This chemical's molecular formula is C6H7F3N2 and molecular weight is 164.13. What's more, its systematic name is 1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole.
Physical properties of 1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)- are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 107; (8)ACD/KOC (pH 7.4): 107; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 34.428 cm3; (15)Molar Volume: 128.36 cm3; (16)Polarizability: 13.648×10-24cm3; (17)Surface Tension: 24.462 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 45.634 °C; (20)Enthalpy of Vaporization: 37.267 kJ/mol; (21)Boiling Point: 151.844 °C at 760 mmHg; (22)Vapour Pressure: 4.593 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(C)n(C)n1
(2)Std. InChI: InChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3
(3)Std. InChIKey: LGTRXZPAYGKNLP-UHFFFAOYSA-N