3-Bromo-9,10-phenanthrenequinone - CAS 13292-05-2

Catalog:	BB007657
Product Name:	3-Bromo-9,10-phenanthrenequinone
CAS:	13292-05-2
Synonyms:	3-bromophenanthrene-9,10-dione; 3-bromophenanthrene-9,10-dione

Technical Data

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Computed Properties

IUPAC Name:	3-bromophenanthrene-9,10-dione
Description:	3-Bromo-9,10-phenanthrenequinone (CAS# 13292-05-2 ) is a useful research chemical.
Molecular Weight:	287.11
Molecular Formula:	C14H7BrO2
Canonical SMILES:	C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C(=O)C2=O
InChI:	InChI=1S/C14H7BrO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H
InChI Key:	OFVPOKPVPJPQAY-UHFFFAOYSA-N
Boiling Point:	446.832 °C at 760 mmHg
Density:	1.638 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD18072876
LogP:	3.49510

Publication Number	Title	Priority Date
CN-111253407-A	Phenanthropyrazine derivative, preparation method thereof and electronic device	20200327
CN-113493422-A	Organic electroluminescent compound, organic electroluminescent material comprising same, and organic electroluminescent device	20200320
DE-102021106577-A1	ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL INCLUDING THIS, AND ORGANIC ELECTROLUMINESCENT DEVICE	20200320
JP-2021150650-A	Organic electroluminescent compounds, organic electroluminescent materials containing the compounds, and organic electroluminescent devices.	20200320
KR-20210117922-A	Organic electroluminescent compound, organic electroluminescent material comprising the same, and organic electroluminescent device	20200320

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.96294
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.96294
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2