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1H-Imidazole,1-[3-(trifluoromethyl)phenyl]-

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Name

1H-Imidazole,1-[3-(trifluoromethyl)phenyl]-

EINECS N/A
CAS No. 25371-97-5 Density 1.27 g/cm3
PSA 17.82000 LogP 2.89110
Solubility N/A Melting Point 71oC
Formula C10H7F3N2 Boiling Point 282.7 °C at 760 mmHg
Molecular Weight 212.174 Flash Point 124.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25371-97-5 (1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE) Hazard Symbols IrritantXi
Synonyms

Imidazole,1-(a,a,a-trifluoro-m-tolyl)- (8CI);1-(3-Trifluoromethylphenyl)-1H-imidazole;

Article Data 8

1H-Imidazole,1-[3-(trifluoromethyl)phenyl]- Specification

The 1H-Imidazole,1-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 25371-97-5, is also known as Imidazole, 1-(3-trifluoromethylphenyl). It belongs to the product category of Imidazol&Benzimidazole. This chemical's molecular formula is C10H7F3N2 and molecular weight is 212.17. What's more, its IUPAC name is 1-[3-(Trifluoromethyl)phenyl]imidazole.

Physical properties about 1H-Imidazole,1-[3-(trifluoromethyl)phenyl] are: (1)ACD/LogP: 2.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 31.3; (6)ACD/BCF (pH 7.4): 50.8; (7)ACD/KOC (pH 5.5): 355.89; (8)ACD/KOC (pH 7.4): 577.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 50.68 cm3; (15)Molar Volume: 166.1 cm3; (16)Polarizability: 20.09×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 124.8 °C; (20)Enthalpy of Vaporization: 50.06 kJ/mol; (21)Boiling Point: 282.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00565 mmHg at 25 °C.

Preparation of 1H-Imidazole,1-[3-(trifluoromethyl)phenyl]: this chemical can be prepared by 1H-Imidazole and 1-Iodo-3-trifluoromethyl-benzene. This reaction needs reagent Cs2CO3 and solvent Xylene at temperature of 110 °C. The reaction time is 24 hours. The yield is 94 %.

1H-Imidazole,1-[3-(trifluoromethyl)phenyl] can be prepared by 1H-Imidazole and 1-Iodo-3-trifluoromethyl-benzene.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should 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)c1cccc(c1)n2ccnc2
(2) InChI: InChI=1/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-7H
(3) InChIKey: KZVUPVJLOACZIL-UHFFFAOYAJ

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