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1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)-

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Name

1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)-

EINECS 200-258-5
CAS No. 79080-31-2 Density 1.279 g/cm3
PSA 17.82000 LogP 1.74730
Solubility N/A Melting Point N/A
Formula C6H7F3N2 Boiling Point 151.844 °C at 760 mmHg
Molecular Weight 164.13 Flash Point 45.634 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 79080-31-2 (1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE) Hazard Symbols CorrosiveC
Synonyms

1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE;1,5-DiMethyl-3-(trifluoroMethyl)pyrazole

Article Data 13

1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)- 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

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