Diphenylacetaldehyde - CAS 947-91-1
Catalog: |
BB041504 |
Product Name: |
Diphenylacetaldehyde |
CAS: |
947-91-1 |
Synonyms: |
2,2-diphenylacetaldehyde |
IUPAC Name: | 2,2-diphenylacetaldehyde |
Description: | Diphenylacetaldehyde (CAS# 947-91-1) is used in the synthesis of vinylindoles via condensation reaction. It is also used in the process of the olefination of aldehydes with ethanol diazoacetate. |
Molecular Weight: | 196.24 |
Molecular Formula: | C14H12O |
Canonical SMILES: | C1=CC=C(C=C1)C(C=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H |
InChI Key: | HLLGFGBLKOIZOM-UHFFFAOYSA-N |
Boiling Point: | 312.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.106 g/mL at 25 °C (lit.) |
Appearance: | Clear colorless to pale yellow liquid |
Storage: | Refrigerator |
MDL: | MFCD00006972 |
LogP: | 3.01740 |
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 |
Publication Number | Title | Priority Date |
JP-2021134205-A | Method for producing fluorine-containing compound | 20200226 |
CN-111153806-A | Aggregation-induced emission type aniline derivative luminescent compound and preparation method thereof | 20200108 |
CN-111153806-B | Aggregation-induced emission type aniline derivative luminescent compound and preparation method thereof | 20200108 |
EP-3838891-A1 | Aldimines and uses thereof | 20191219 |
EP-3838957-A1 | Polyimines and uses thereof | 20191219 |
PMID | Publication Date | Title | Journal |
18227133 | 20080515 | Spectroscopic, structural, and functional characterization of the alternative low-spin state of horse heart cytochrome C | Biophysical journal |
18159230 | 20071226 | A tale of switched functions: from cyclooxygenase inhibition to M-channel modulation in new diphenylamine derivatives | PloS one |
16633684 | 20060428 | Reaction route control by microperoxidase-9/CTAB micelle ratios | Physical chemistry chemical physics : PCCP |
17066373 | 20060101 | Electrospray ionization mass spectrometric study on the alpha-fluorination of aldehydes | Rapid communications in mass spectrometry : RCM |
15247265 | 20040917 | Changes in the spin state and reactivity of cytochrome C induced by photochemically generated singlet oxygen and free radicals | The Journal of biological chemistry |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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