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| CAS No.: | 33468-69-8 |
|---|---|
| Name: | 4-(Trifluoromethyl)-1H-imidazole |
| Article Data: | 15 |
| Molecular Structure: | |
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|
|
| Formula: | C4H3F3N2 |
| Molecular Weight: | 136.076 |
| Synonyms: | 1H-Imidazole,4-(trifluoromethyl)- (9CI);Imidazole, 4-(trifluoromethyl)- (8CI);4-(Trifluoromethyl)imidazole;4-Trifluoromethyl-1H-imidazole;5-Trifluoromethyl-1H-imidazole;5-Trifluoromethylimidazole; |
| EINECS: | 206-381-1 |
| Density: | 1.44 g/cm3 |
| Melting Point: | 149-150 °C |
| Boiling Point: | 224.7 °C at 760 mmHg |
| Flash Point: | 89.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-36/37-24/25 |
| PSA: | 28.68000 |
| LogP: | 1.42850 |
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Specification
The 1H-Imidazole,5-(trifluoromethyl)-, with the cas register number 33468-69-8, has its systematic name of 5-(trifluoromethyl)-1H-imidazole. Besides, it belongs to the product category of heterocycle.
The physical properties of this chemical could be summarized as: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.18; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 39.06; (8)ACD/KOC (pH 7.4): 39.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 ; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 23.75 cm3; (15)Molar Volume: 94.4 cm3; (16)Polarizability: 9.41×10-24 cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 89.7 °C; (20)Enthalpy of Vaporization: 44.25 kJ/mol; (21)Boiling Point: 224.7 °C at 760 mmHg; (22)Vapour Pressure: 0.134 mmHg at 25°C.
When you are using this chemical, you should be very cautious. This is a kind of irritant chemical, and it may cause inflammation to the skin or other mucous membranes. So you had better wear protective suitable clothes and goloves. And if any accident, go to seek medical treatment immediately.
Additionally, you could convert the following datas information into the molecular structure:
SMILES:FC(F)(F)c1cncn1
InChI:InChI=1/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)
InChIKey:DFLGRTIPTPCKPJ-UHFFFAOYAJ