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CAS No.: | 59483-84-0 |
---|---|
Name: | BIS(PENTAFLUOROPHENYL)CARBONATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13F10O3 |
Molecular Weight: | 394.125 |
Synonyms: | Phenol,pentafluoro-, carbonate (2:1) (9CI);Dipentafluorophenyl carbonate;Perfluorophenyl carbonate; |
EINECS: | 671-619-7 |
Density: | 1.782 g/cm3 |
Melting Point: | 47-50 °C (lit.) |
Boiling Point: | 286.5 °C at 760 mmHg |
Flash Point: | 123.1 °C |
Appearance: | white crystalline powder and chunks |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 35.53000 |
LogP: | 4.65540 |
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The Bis(pentafluorophenyl) carbonate, with the CAS registry number of 59483-84-0, is also known as Dipentafluorophenyl carbonate. It belongs to the product categories of Miscellaneous. This chemical's molecular formula is C13F10O3 and molecular weight is 394.12. What's more, its IUPAC name is Bis(2, 3, 4, 5, 6-pentafluorophenyl) carbonate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with water.
Physical properties about Bis(pentafluorophenyl) carbonate are: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1560.8; (6)ACD/BCF (pH 7.4): 1560.8; (7)ACD/KOC (pH 5.5): 6720.41; (8)ACD/KOC (pH 7.4): 6720.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 59.14 cm3; (15)Molar Volume: 221 cm3; (16)Surface Tension: 33.6 dyne/cm; (17)Density: 1.782 g/cm3; (18)Flash Point: 123.1 °C; (19)Enthalpy of Vaporization: 52.56 kJ/mol; (20)Boiling Point: 286.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00263 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1c(F)c(F)c(F)c(F)c1F)Oc2c(F)c(F)c(F)c(F)c2F
(2) InChI: InChI=1/C13F10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23
(3) InChIKey: IOVVFSGCNWQFQT-UHFFFAOYAJ