1-Benzoylnaphthalene - CAS 642-29-5

Catalog:	BB032408
Product Name:	1-Benzoylnaphthalene
CAS:	642-29-5
Synonyms:	1-naphthalenyl(phenyl)methanone; naphthalen-1-yl(phenyl)methanone

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Computed Properties

IUPAC Name:	naphthalen-1-yl(phenyl)methanone
Description:	1-Benzoylnaphthalene (CAS# 642-29-5) is a useful research chemical.
Molecular Weight:	232.28
Molecular Formula:	C17H12O
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32
InChI:	InChI=1S/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChI Key:	CXAYOCVHDCXPAI-UHFFFAOYSA-N
Boiling Point:	385 °C at 760 mmHg
Density:	1.151 g/cm³
MDL:	MFCD00046431
LogP:	4.07080

Publication Number	Title	Priority Date
JP-6916400-B1	Addition condensate, its production method and its use, polymerization reactor, and polymer production method	20200629
JP-6916401-B1	Method for producing addition condensate	20200629
JP-2021105703-A	Resist Underlayer Membrane Forming Composition Containing Ionic Liquid	20200601
CN-111410603-A	Benzanthrone derivative, preparation method thereof and application thereof in functional pigment	20200420
CN-111303338-A	Method for preparing vinyl polymer by bulk polymerization	20200410

PMID	Publication Date	Title	Journal
16797987	20060901	Synthesis of gallic acid based naphthophenone fatty acid amides as cathepsin D inhibitors	Bioorganic & medicinal chemistry letters
16756286	20060614	Synthesis of aromatic ketones by a transition metal-catalyzed tandem sequence	Journal of the American Chemical Society
16297622	20060215	Synthesis of 1-(3',4',5'-trimethoxy) phenyl naphtho[2,1b]furan as a novel anticancer agent	Bioorganic & medicinal chemistry letters
16311988	20060208	Properties of excited ketyl radicals of benzophenone analogues affected by the size and electronic character of the aromatic ring systems	Chemistry (Weinheim an der Bergstrasse, Germany)
15686951	20050215	Synthesis of a novel plant growth promoter from gallic acid	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.088815002
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5