Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,2-Bis(4-carboxyphenyl)hexafluoropropane |
EINECS | -0 |
CAS No. | 1171-47-7 | Density | 1.505 g/cm3 |
PSA | 74.60000 | LogP | 4.49370 |
Solubility | N/A | Melting Point |
272-274 °C(lit.) |
Formula | C17H10F6O4 | Boiling Point | 424.4 °C at 760 mmHg |
Molecular Weight | 392.254 | Flash Point | 210.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzoicacid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di- (7CI);Benzoicacid, 4,4'-[trifluoro-1-(trifluoromethyl)ethylidene]di- (8CI);2,2-Bis(4-carboxyphenyl)hexafluoropropane;2,2-Bis(p-carboxyphenyl)hexafluoropropane;4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dibenzoic acid;4,4'-(Hexafluoroisopropylidene)bis(benzoic acid);4,4'-(Hexafluoroisopropylidene)dibenzoic acid;4,4'-Hexafluoroisopropylidenediphenyl-1,1'-dicarboxylic acid;Hexafluoro-2,2-bis(4-carboxyphenyl)propane; |
Article Data | 5 |
The CAS register number of 2,2-Bis(4-carboxyphenyl)hexafluoropropane is 1171-47-7. It also can be called as Benzoic acid,4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- and the IUPAC name about this chemical is 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid. The molecular formula about this chemical is C17H10F6O4 and molecular weight is 392.25. It belongs to the following product categories which include Bisphenol AF type Compounds (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research; C13 to C42+; Carbonyl Compounds; Carboxylic Acids and so on.
Physical properties about 2,2-Bis(4-carboxyphenyl)hexafluoropropane are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 0.28; (3)ACD/LogD (pH 7.4): -0.5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6Å2; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 79.17 cm3; (14)Molar Volume: 260.5 cm3; (15)Polarizability: 31.38x10-24cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Enthalpy of Vaporization: 71.56 kJ/mol; (18)Boiling Point: 424.4 °C at 760 mmHg; (19)Vapour Pressure: 5.86E-08 mmHg at 25°C.
Uses of 2,2-Bis(4-carboxyphenyl)hexafluoropropane: it can be used to produce 1-{4-[1-(4-acetyl-phenyl)-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-phenyl}-ethanone with methyllithium at temperature of 0 ℃. This reaction will need solvent tetrahydrofuran and various solvent(s) with reaction time of 2hours. The yield is about 53%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact 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)(F)C(c1ccc(C(=O)O)cc1)(c2ccc(cc2)C(=O)O)C(F)(F)F
(2)InChI: InChI=1/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)
(3)InChIKey: PHQYMDAUTAXXFZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)
(5)Std. InChIKey: PHQYMDAUTAXXFZ-UHFFFAOYSA-N