CAS No.381242-61-1,1-(4-NITRO-2-TRIFLUOROMETHYLPHENYL)-PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	381242-61-1
Name:	1-(4-NITRO-2-TRIFLUOROMETHYLPHENYL)-PIPERAZINE
Article Data:	4

Formula:	C₁₁H₁₂F₃N₃O₂
Molecular Weight:	275.23
Synonyms:	1-(2-(Trifluoromethyl)-4-nitrophenyl)piperazine;
EINECS:	604-604-1
Density:	1.355 g/cm³
Melting Point:	54-55 °C
Boiling Point:	382.1 °C at 760 mmHg
Flash Point:	184.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	61.09000
LogP:	2.94020

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Specification

The Piperazine,1-[4-nitro-2-(trifluoromethyl)phenyl]- is an organic compound with the formula C₁₁H₁₂F₃N₃O₂. The IUPAC name of this chemical is 1-[4-nitro-2-(trifluoromethyl)phenyl]piperazine. With the CAS registry number 381242-61-1, it is also named as 5-Nitro-2-(piperazin-1-yl)benzotrifluoride.

Physical properties about Piperazine,1-[4-nitro-2-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 18.63; (6)ACD/KOC (pH 5.5): 3.41; (7)ACD/KOC (pH 7.4): 173.58; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.3 Å²; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 61.33 cm³; (14)Molar Volume: 203 cm³; (15)Polarizability: 24.31×10^-24cm³; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.355 g/cm³; (18)Flash Point: 184.9 °C; (19)Enthalpy of Vaporization: 63.05 kJ/mol; (20)Boiling Point: 382.1 °C at 760 mmHg; (21)Vapour Pressure: 4.83E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: [O-][N+](=O)c1cc(c(cc1)N2CCNCC2)C(F)(F)F
(2)InChI: InChI=1/C11H12F3N3O2/c12-11(13,14)9-7-8(17(18)19)1-2-10(9)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
(3)InChIKey: KMGDPTUNJDHJFZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H12F3N3O2/c12-11(13,14)9-7-8(17(18)19)1-2-10(9)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
(5)Std. InChIKey: KMGDPTUNJDHJFZ-UHFFFAOYSA-N