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| CAS No.: | 75641-06-4 |
|---|---|
| Name: | N-PENTAFLUOROBENZOYLIMIDAZOLE |
| Molecular Structure: | |
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| Formula: | C10H3F5N2O |
| Molecular Weight: | 262.139 |
| Synonyms: | 1H-Imidazole,1-(pentafluorobenzoyl)- (9CI);NSC 379661; |
| EINECS: | 278-285-8 |
| Density: | 1.59 g/cm3 |
| Melting Point: | 55 °C |
| Boiling Point: | 372.3 °C at 760 mmHg |
| Flash Point: | 179 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 34.89000 |
| LogP: | 2.26710 |
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- Total:18 Page 1 of 1 1
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Specification
The Methanone,1H-imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)-, with the CAS registry number 75641-06-4, is also known as 1H-Imidazole,1-(pentafluorobenzoyl)- (9CI). It belongs to the product category of Imidazol & Benzimidazole. Its EINECS registry number is 278-285-8. This chemical's molecular formula is C10H3F5N2O and molecular weight is 262.1356. What's more, its IUPAC name is called Imidazol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone. Additionally, it should be preserved hermetically and put in a cool, dry place.
Physical properties about Methanone,1H-imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)-: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.82; (6)ACD/BCF (pH 7.4): 3.83; (7)ACD/KOC (pH 5.5): 90.73; (8)ACD/KOC (pH 7.4): 90.99; (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: 1.531; (14)Molar Refractivity: 50.74 cm3; (15)Molar Volume: 163.9 cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 1.59 g/cm3; (18)Flash Point: 179 °C; (19)Enthalpy of Vaporization: 61.95 kJ/mol; (20)Boiling Point: 372.3 °C at 760 mmHg; (21)Vapour Pressure: 9.68E-06 mmHg at 25 °C; (22)Melting point: 55 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And 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: O=C(c1c(F)c(F)c(F)c(F)c1F)n2ccnc2
(2) InChI: InChI=1/C10H3F5N2O/c11-5-4(10(18)17-2-1-16-3-17)6(12)8(14)9(15)7(5)13/h1-3H
(3) InChIKey: DOLREFXBQXCDOR-UHFFFAOYAW