4,4'-Biphenyldicarboxylic acid - CAS 787-70-2
Catalog: |
BB036243 |
Product Name: |
4,4'-Biphenyldicarboxylic acid |
CAS: |
787-70-2 |
Synonyms: |
4-(4-carboxyphenyl)benzoic acid; 4-(4-carboxyphenyl)benzoic acid |
Application: |
Used as an intermediate. |
IUPAC Name: | 4-(4-carboxyphenyl)benzoic acid |
Description: | Dendrimer building block. |
Molecular Weight: | 242.23 |
Molecular Formula: | C14H10O4 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O |
InChI: | InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18) |
InChI Key: | NEQFBGHQPUXOFH-UHFFFAOYSA-N |
Boiling Point: | 482.5±38.0 °C (Predicted) |
Melting Point: | 283 °C (dec.) |
Purity: | > 97.0 % (T) |
Density: | 1.347±0.06 g/cm3(Predicted) |
Appearance: | White to light yellow to light orange powder to crystaline |
MDL: | MFCD00002554 |
LogP: | 2.75000 |
GHS Hazard Statement: | Not Classified |
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 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
31932644 | 20200501 | A novel biphenyl compound IMB-S7 ameliorates hepatic fibrosis in BDL rats by suppressing Sp1-mediated integrin αv expression | Acta pharmacologica Sinica |
23098744 | 20121201 | Anti-hepatitis B virus activities of α-DDB-FNC, a novel nucleoside-biphenyldicarboxylate compound in cells and ducks, and its anti-immunological liver injury effect in mice | Antiviral research |
22706097 | 20121001 | Study of the interaction between bovine serum albumin and analogs of Biphenyldicarboxylate by spectrofluorimetry | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22946624 | 20120917 | Tuning structural topologies of three photoluminescent metal-organic frameworks via isomeric biphenyldicarboxylates | Inorganic chemistry |
22899097 | 20120905 | Molecular self-assembly on an insulating surface: interplay between substrate templating and intermolecular interactions | Journal of physics. Condensed matter : an Institute of Physics journal |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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