3,3,3-Triphenylpropionic acid - CAS 900-91-4
Catalog: |
BB039761 |
Product Name: |
3,3,3-Triphenylpropionic acid |
CAS: |
900-91-4 |
Synonyms: |
Benzenepropanoic acid, β,β-diphenyl-; Propionic acid, 3,3,3-triphenyl-; β,β-Diphenylbenzenepropanoic acid; NSC 131292 |
IUPAC Name: | 3,3,3-triphenylpropanoic acid |
Description: | 3,3,3-Triphenylpropionic acid (CAS# 900-91-4) is an intermediate used industrially for saponification processes. It also functions as a useful reagent for pharmaceutical and organic synthesis. |
Molecular Weight: | 302.37 |
Molecular Formula: | C21H18O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23) |
InChI Key: | XMSJLUKCGWQAHO-UHFFFAOYSA-N |
Boiling Point: | 433.6±14.0°C at 760 mmHg |
Melting Point: | 177-178°C |
Purity: | 95% |
Density: | 1.161±0.06 g/cm3 |
Appearance: | White to Orange to Green Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00002713 |
LogP: | 4.49570 |
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 |
22685432 | 20120101 | Triarylmethanes, a new class of cx50 inhibitors | Frontiers in pharmacology |
17989479 | 20071101 | 2-Aminopyrimidine-3,3,3-triphenylpropanoic acid (1/1) | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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