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Cas Database |
| Name |
4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid |
EINECS | 221-154-7 |
| CAS No. | 3016-76-0 | Density | 1.682 g/cm3 |
| PSA | 149.20000 | LogP | 3.89010 |
| Solubility | N/A | Melting Point |
240-241 °C |
| Formula | C19H10F6O8 | Boiling Point | 572.3 °C at 760 mmHg |
| Molecular Weight | 480.274 | Flash Point | 299.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Phthalicacid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di- (7CI);Phthalicacid, 4,4'-[trifluoro-1-(trifluoromethyl)ethylidene]di- (8CI);2,2-Bis(3,4-dicarboxyphenyl)hexafluoropropane;2,2-Bis(3,4-dicarboxyphenyl)perfluoropropane;4,4'-Hexafluoroisopropylidenebis(phthalic acid); |
Article Data | 11 |
4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid Specification
The IUPAC name of 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid is 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid. With the CAS registry number 3016-76-0, it is also named as 1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-. Besides, it should be stored in cool and ventilated place at room temperature. In addition, its molecular formula is C19H10F6O8 and molecular weight is 480.27.
The other characteristics of 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acid can be summarized as: (1)EINECS: 221-154-7; (2)ACD/LogP: 1.47; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.63; (5)ACD/LogD (pH 7.4): -4.64; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 8; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 6; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 93.03 cm3; (15)Molar Volume: 285.6 cm3; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.681 g/cm3; (18)Flash Point: 299.9 °C; (19)Melting Point: 240-241°C; (20)Enthalpy of Vaporization: 90.26 kJ/mol; (21)Boiling Point: 572.3 °C at 760 mmHg; (22)Vapour Pressure: 6.14E-14 mmHg at 25 °C.
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, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C(c1cc(C(=O)O)c(C(=O)O)cc1)(c2cc(c(cc2)C(=O)O)C(=O)O)C(F)(F)F
(2)InChI: InChI=1/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
(3)InChIKey: APXJLYIVOFARRM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
(5)Std. InChIKey: APXJLYIVOFARRM-UHFFFAOYSA-N
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