4-(Trifluoromethyl)-1H-imidazole supplier

Name
4-(Trifluoromethyl)-1H-imidazole
EINECS 206-381-1
CAS No. 33468-69-8
Article Data15
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 149-150 °C
Formula C₄H₃F₃N₂
Boiling Point 224.7 °C at 760 mmHg
Molecular Weight 136.076
Flash Point 89.7 °C
Transport Information
Appearance
Safety 26-36/37-24/25
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Imidazole,4-(trifluoromethyl)- (9CI);Imidazole, 4-(trifluoromethyl)- (8CI);4-(Trifluoromethyl)imidazole;4-Trifluoromethyl-1H-imidazole;5-Trifluoromethyl-1H-imidazole;5-Trifluoromethylimidazole;
PSA 28.68000
LogP 1.42850

4-(Trifluoromethyl)-1H-imidazole 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^-24cm³; (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

Product Name

4-(Trifluoromethyl)-1H-imidazole

4-(Trifluoromethyl)-1H-imidazole Specification

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