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58315-38-1

Basic Information
CAS No.: 58315-38-1
Name: N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
Molecular Structure:
Molecular Structure of 58315-38-1 (N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE)
Formula: C11H12F3N3O2
Molecular Weight: 275.23
Synonyms: 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine;4-(2-Nitro-4-trifluoromethylphenyl)piperazine;1-(4-Trifluoromethyl-2-nitrophenyl)piperazine;
Density: 1.355 g/cm3
Melting Point: 65 °C
Boiling Point: 370 °C at 760 mmHg
Flash Point: 177.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 61.09000
LogP: 2.94020
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  • N-[2-nitro-4-(trifluoromethyl)phenyl]piperazine  CAS NO.58315-38-1

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Specification

The Piperazine, 1-[2-nitro-4-(trifluoromethyl)phenyl]-, with the CAS registry number of 58315-38-1, is also known as 1-(4-Trifluoromethyl-2-nitrophenyl)piperazine. This chemical's molecular formula is C11H12F3N3O2 and molecular weight is 275.23. What's more, its IUPAC name is 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with moisture, light.

Physical properties about Piperazine, 1-[2-nitro-4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 47.62; (7)ACD/KOC (pH 5.5): 6.99; (8)ACD/KOC (pH 7.4): 356.5; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.3 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 61.33 cm3; (15)Molar Volume: 203 cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.355 g/cm3; (18)Flash Point: 177.6 °C; (19)Enthalpy of Vaporization: 61.69 kJ/mol; (20)Boiling Point: 370 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-05 mmHg at 25 °C.

Uses: it can be used in pharmaceutical intermediates, organic synthesis, organic solvents. Meanwhile, it can be used for dyestuff production, pesticide and spices production.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(c(cc1)N2CCNCC2)[N+]([O-])=O
(2) InChI: InChI=1/C11H12F3N3O2/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
(3) InChIKey: YOBUPGXTLFRIJD-UHFFFAOYAQ