CAS No.198348-94-6,1-ACETYL-5(3)-PHENYL-3(5)-(TRIFLUOROMETHYL)PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	198348-94-6
Name:	1-ACETYL-5(3)-PHENYL-3(5)-(TRIFLUOROMETHYL)PYRAZOLE
Article Data:	3

Formula:	C₁₂H₉F₃N₂O
Molecular Weight:	254.211
Synonyms:	1H-Pyrazole,1-acetyl-3-phenyl-5-(trifluoromethyl)- (9CI);
Density:	1.3 g/cm³
Melting Point:	77 °C
Boiling Point:	354.2 °C at 760 mmHg
Flash Point:	168 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	34.89000
LogP:	3.22900

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Specification

The 1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole, with the CAS registry number 198348-94-6, is also known as Ethanone, 1-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-. This chemical's molecular formula is C₁₂H₉F₃N₂O and formula weight is 254.21. What's more, its systematic name is called 1-acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole.

Physical properties of 1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 205.83; (6)ACD/BCF (pH 7.4): 205.83; (7)ACD/KOC (pH 5.5): 1576.22; (8)ACD/KOC (pH 7.4): 1576.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 60.57 cm³; (14)Molar Volume: 194.7 cm³; (15)Surface Tension: 35.5 dyne/cm; (16)Density: 1.3 g/cm³; (17)Melting Point: 77 °C; (18)Flash Point: 168 °C; (19)Enthalpy of Vaporization: 59.92 kJ/mol; (20)Boiling Point: 354.2 °C at 760 mmHg; (21)Vapour Pressure: 3.41E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(n2nc(cc2c1ccccc1)C(F)(F)F)C
(2)InChI: InChI=1/C12H9F3N2O/c1-8(18)17-10(9-5-3-2-4-6-9)7-11(16-17)12(13,14)15/h2-7H,1H3
(3)InChIKey: AQFXIWDRLHRFIC-UHFFFAOYAP