4,4'-(Hexafluoroisopropylidene)bis(benzoic acid)
Product Information
Molecular Formula
C17H10F6O4
Molecular Weight
392.25
Description
4,4'-(Hexafluoroisopropylidene)bis(benzoic acid) (CAS# 1171-47-7) is a useful research chemical.
Synonyms
4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
IUPAC Name
4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
SMILES
C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C(F)(F)F)C(F)(F)F
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)
InChI Key
PHQYMDAUTAXXFZ-UHFFFAOYSA-N
Boiling Point
424.4 °C at 760 mmHg
Melting Point
272-274 °C
Purity
> 98.0 % (T)
Density
1.505 g/cm3
Appearance
White to almost white powder to crystal
LogP
4.49370
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
4.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
4
Exact Mass
392.04832777 g/mol
Monoisotopic Mass
392.04832777 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
505
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114045009-A | Liquid crystal polymer film and film antenna made of same | 2021-11-30 |
| CN-114058007-A | Method for preparing polycarbonyl enol ester compound by catalyzing polymerization of alkyne carboxylic acid with organic base | 2021-11-22 |
| CN-113620814-A | Green preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane | 2021-08-10 |
| CN-113444242-A | Methoxy-containing triphenylamine polyamide with triptycene as center and preparation method and application thereof | 2021-07-16 |
| CN-113388104-A | Triarylamine polyamide containing fluorenyl directly bonded with triphenylamine, and preparation method and application thereof | 2021-07-02 |
| CN-113087880-A | Polyester and preparation method thereof | 2021-04-01 |
| JP-2022041899-A | Resin composition, resin film and display device | 2020-08-31 |
| JP-2022041900-A | Laminates and display devices | 2020-08-31 |
| JP-2022041901-A | Laminates and display devices | 2020-08-31 |
| WO-2022044822-A1 | Resin composition, resin film, and display device | 2020-08-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22590115 | 2012-05-01 | catena-Poly[[silver(I)-μ-4,4'-bipyridine-κ(2)N:N'] 4-[2-(4-carb-oxy-phen-yl)-1,1,1,3,3,3-hexa-fluoro-propan-2-yl]benzoate] | Acta crystallographica. Section E, Structure reports online |
| 21579470 | 2010-05-19 | 4,4'-(1,1,1,3,3,3-Hexafluoro-propane-2,2-diyl)dibenzoic acid | Acta crystallographica. Section E, Structure reports online |
