4,4'-Oxybis(benzoic acid) - CAS 2215-89-6
Catalog: |
BB017428 |
Product Name: |
4,4'-Oxybis(benzoic acid) |
CAS: |
2215-89-6 |
Synonyms: |
4-(4-carboxyphenoxy)benzoic acid; 4-(4-carboxyphenoxy)benzoic acid |
IUPAC Name: | 4-(4-carboxyphenoxy)benzoic acid |
Description: | 4,4'-Oxybis(benzoic acid) (CAS# 2215-89-6) is a useful research chemical. |
Molecular Weight: | 258.23 |
Molecular Formula: | C14H10O5 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18) |
InChI Key: | WVDRSXGPQWNUBN-UHFFFAOYSA-N |
Boiling Point: | 256-259 °C |
Melting Point: | 325 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.395±0.06 g/cm3(Predicted) |
Appearance: | White to almost white powder to crystal |
Storage: | Store under inert gas |
MDL: | MFCD00013988 |
LogP: | 2.87530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
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PMID | Publication Date | Title | Journal |
22920149 | 20120917 | Tuning MOF stability and porosity via adding rigid pillars | Inorganic chemistry |
22983149 | 20120914 | A 3-D metal-organic framework constructed with manganese(ΙΙ), 4,4'-oxybis(benzoic acid) and 2,2'-biphenyl: synthesis, crystal structure and photoelectric property characterization | Molecules (Basel, Switzerland) |
22635008 | 20120707 | Structural change from homogenous structure to staging in benzoic acid intercalated LDH: experimental and molecular dynamics simulation insights | Physical chemistry chemical physics : PCCP |
22529063 | 20120501 | High-temperature proton-exchange-membrane fuel cells using an ether-containing polybenzimidazole membrane as electrolyte | ChemSusChem |
22462567 | 20120416 | Synthesis, structure, and magnetic properties of a new eight-connected metal-organic framework (MOF) based on Co4 clusters | Inorganic chemistry |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.05282342 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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