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CAS No.: | 652-12-0 |
---|---|
Name: | Tetrafluorophthalic anhydride |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8F4O3 |
Molecular Weight: | 220.08 |
Synonyms: | Phthalicanhydride, tetrafluoro- (6CI,7CI,8CI);3,4,5,6-Tetrafluorophthalic anhydride;Tetrafluorophthalic anhydride; |
EINECS: | 652-12-0 |
Density: | 1.843 g/cm3 |
Melting Point: | 94-96 °C(lit.) |
Boiling Point: | 332.6 °C at 760 mmHg |
Flash Point: | 149.9 °C |
Appearance: | Light greyish to beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26-36 |
PSA: | 43.37000 |
LogP: | 1.55360 |
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The systematic name of 1,3-Isobenzofurandione,4,5,6,7-tetrafluoro- is 4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione. With the CAS registry number 652-12-0 and EINECS 211-485-5, it is also named as Tetrafluorophthalic anhydride. The product's categories are Phthalic Acids, Esters and Derivatives; Fluorobenzene; Highly Purified Reagents; Other Categories; Refined Products by Sublimation; Anhydride Monomers; Monomers; Polymer Science. It is light greyish to beige powder which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.13; (6)ACD/BCF (pH 7.4): 11.13; (7)ACD/KOC (pH 5.5): 195.32; (8)ACD/KOC (pH 7.4): 195.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 35.65 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 14.13×10-24 cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.843 g/cm3; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 57.54 kJ/mol; (21)Boiling Point: 332.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000144 mmHg at 25°C.
Uses of 1,3-Isobenzofurandione,4,5,6,7-tetrafluoro-: It is used as polyimide monomer. It also can react with benzene to get 2-benzoyl-3,4,5,6-tetrafluorobenzoic acid. This reaction needs reagent AlCl3. The yield is 70%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C1OC(=O)c2c1c(F)c(F)c(F)c2F
2. InChI:InChI=1/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
3. InChIKey:BJDDKZDZTHIIJB-UHFFFAOYAY