1,10-Phenanthroline-5,6-dione - CAS 27318-90-7

Catalog:	BB019526
Product Name:	1,10-Phenanthroline-5,6-dione
CAS:	27318-90-7
Synonyms:	1,10-phenanthroline-5,6-dione

Technical Data

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Computed Properties

IUPAC Name:	1,10-phenanthroline-5,6-dione
Description:	1,10-Phenanthroline-5,6-dione (CAS# 27318-90-7) is a useful research chemical.
Molecular Weight:	210.19
Molecular Formula:	C12H6N2O2
Canonical SMILES:	C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1
InChI:	InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
InChI Key:	KCALAFIVPCAXJI-UHFFFAOYSA-N
Boiling Point:	456.1 °C at 760 mmHg
Melting Point:	260 °C (dec.)
Purity:	≥ 98 %
Density:	1.444 g/cm³
Appearance:	Solid
MDL:	MFCD00014473
LogP:	1.52260

Publication Number	Title	Priority Date
CN-113512072-A	Metal iridium (III) complex and preparation method and application thereof	20210720
CN-113512069-A	Iridium (III) polypyridine composite liposome and application thereof in antitumor drugs	20210601
CN-113336797-A	Ruthenium polypyridine complex with triphenylphosphine structure and preparation method and application thereof	20210406
CN-112851717-A	ruthenium-LHRH coupled diagnosis and treatment probe for targeted ovarian cancer and preparation method and application thereof	20210322
CN-112592341-A	Organic photoelectric functional material and organic electroluminescent device prepared from same	20201222

PMID	Publication Date	Title	Journal
23001132	20121114	A novel ruthenium(II)-cobaloxime supramolecular complex for photocatalytic H2 evolution: synthesis, characterisation and mechanistic studies	Dalton transactions (Cambridge, England : 2003)
23046387	20121031	High-throughput synthesis and electrochemical screening of a library of modified electrodes for NADH oxidation	Journal of the American Chemical Society
22892834	20121007	Aerobic oxidation of primary alcohols catalyzed by copper complexes of 1,10-phenanthroline-derived ligands	Dalton transactions (Cambridge, England : 2003)
22791215	20121001	Bipyrimidine ruthenium(II) arene complexes: structure, reactivity and cytotoxicity	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
22446757	20120615	Photophysical studies of fused phenanthrimidazole derivatives as versatile π-conjugated systems for potential NLO applications	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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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

Complexity:	297
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.042927438
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5