4-(Diphenylamino)benzaldehyde - CAS 4181-05-9
Catalog: |
BB024966 |
Product Name: |
4-(Diphenylamino)benzaldehyde |
CAS: |
4181-05-9 |
Synonyms: |
4-(N-phenylanilino)benzaldehyde |
IUPAC Name: | 4-(N-phenylanilino)benzaldehyde |
Description: | 4-(Diphenylamino)benzaldehyde (CAS# 4181-05-9) is a useful research chemical. |
Molecular Weight: | 273.33 |
Molecular Formula: | C19H15NO |
Canonical SMILES: | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=O |
InChI: | InChI=1S/C19H15NO/c21-15-16-11-13-19(14-12-16)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H |
InChI Key: | UESSERYYFWCTBU-UHFFFAOYSA-N |
Boiling Point: | 436.8 °C at 760 mmHg |
Melting Point: | 131-135 °C |
Purity: | > 98.0 % (GC) (N) |
Density: | 1.176 g/cm3 |
Appearance: | Pale yellow powder |
MDL: | MFCD00145131 |
LogP: | 4.96890 |
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 |
22904859 | 20120801 | 4-(Diphenyl-amino)-benzaldehyde 4-phenyl-thio-semicarbazone | Acta crystallographica. Section E, Structure reports online |
22347032 | 20120201 | (E)-3-[4-(Diphenyl-amino)-phen-yl]-1-(pyridin-2-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21583944 | 20090425 | (E)-2-{3-[4-(Diphenyl-amino)styr-yl]-5,5-dimethyl-cyclo-hex-2-enyl-idene}-malono-nitrile | Acta crystallographica. Section E, Structure reports online |
21581606 | 20081217 | 4-(Diphenyl-amino)benzaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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