CAS No.132834-58-3,1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132834-58-3
Name:	1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
Article Data:	13

Formula:	C₁₀H₁₂F₃N₃
Molecular Weight:	231.221
Synonyms:	1-(5-Trifluoromethyl-2-pyridyl)piperazine;1-(5-Trifluoromethylpyridin-2-yl)piperazine;
Density:	1.253 g/cm³
Melting Point:	43-46 °C
Boiling Point:	332.3 °C at 760 mmHg
Flash Point:	154.8 °C
Appearance:	slightly yellow crystalline chunks
Hazard Symbols:	C,Xi
Risk Codes:	34
Safety:	37/39-26
PSA:	28.16000
LogP:	1.90380

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Specification

The IUPAC name of 1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine is 1-[5-(trifluoromethyl)pyridin-2-yl]piperazine. With the CAS registry number 132834-58-3, it is also named as Piperazine,1-[5-(trifluoromethyl)-2-pyridinyl]-. The product's categories are Pharmacetical; Pyridines. Besides, it is slightly yellow crystalline chunks, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C₁₀H₁₂F₃N₃ and molecular weight is 231.22.

The other characteristics of 1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.73; (6)ACD/KOC (pH 5.5): 1.27; (7)ACD/KOC (pH 7.4): 76.49; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 19.37 Å²; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 52.87 cm³; (14)Molar Volume: 184.4 cm³; (15)Polarizability: 20.96×10^-24cm³; (16)Surface Tension: 34.3 dyne/cm; (17)Density: 1.253 g/cm³; (18)Flash Point: 154.8 °C; (19)Melting Point: 43-46 °C; (20)Enthalpy of Vaporization: 57.51 kJ/mol; (21)Boiling Point: 332.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000147 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it may cause burns. You should wear suitable gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1cnc(cc1)N2CCNCC2
(2)InChI: InChI=1/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
(3)InChIKey: BNMSJUIMZULLAS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
(5)Std. InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-N