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71735-32-5

Basic Information
CAS No.: 71735-32-5
Name: 1-(PENTAFLUOROPROPIONYL)IMIDAZOLE
Article Data: 1
Molecular Structure:
Molecular Structure of 71735-32-5 (1-(PENTAFLUOROPROPIONYL)IMIDAZOLE)
Formula: C6H3F5N2O
Molecular Weight: 214.095
Synonyms: 1H-Imidazole,1-(2,2,3,3,3-pentafluoro-1-oxopropyl)- (9CI);NSC 377653;
EINECS: 275-944-1
Density: 1.54 g/cm3
Boiling Point: 167.6 °C at 760 mmHg
Flash Point: 55.2 °C
Hazard Symbols: CorrosiveC,IrritantXi
Risk Codes: 22-34
Safety: 26-36/37/39-45
PSA: 34.89000
LogP: 1.72090
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Specification

This chemical is called 1-Propanone,2,2,3,3,3-pentafluoro-1-(1H-imidazol-1-yl)-, and it's also named as 2,2,3,3,3-pentafluoro-1-(1H-imidazol-1-yl)propan-1-one. With the molecular formula of C6H3F5N2O, its molecular weight is 214.09. The CAS registry number of this chemical is 71735-32-5. Additionally, its product categories are Acetylhalide; Imidazol & Benzimidazole.

Other characteristics of the 1-Propanone,2,2,3,3,3-pentafluoro-1-(1H-imidazol-1-yl)- can be summarised as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.58; (6)ACD/BCF (pH 7.4): 68.6; (7)ACD/KOC (pH 5.5): 717.71; (8)ACD/KOC (pH 7.4): 717.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 35.92 cm3; (15)Molar Volume: 138.7 cm3; (16)Polarizability: 14.24×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.54 g/cm3; (19)Flash Point: 55.2 °C; (20)Enthalpy of Vaporization: 40.41 kJ/mol; (21)Boiling Point: 167.6 °C at 760 mmHg; (22)Vapour Pressure: 1.68 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting 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)(C(=O)n1ccnc1)C(F)(F)F
2.InChI: InChI=1/C6H3F5N2O/c7-5(8,6(9,10)11)4(14)13-2-1-12-3-13/h1-3H
3.InChIKey: VZUSRIIEPFQBNE-UHFFFAOYAO