9-Nitroanthracene - CAS 602-60-8

Name: 9-Nitroanthracene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	9-nitroanthracene
Description:	9-Nitroanthracene (CAS# 602-60-8) is a precursor of anthraquinones, which are often used as photosensitizers used in photodynamic therapy (PDT). Anthraquinone is also an important precursor for drugs such as Emodin (E523000), Aloe-emodin (A575400), and Rufgallol. 9-nitroanthracene has potential application in cancer therapy.
Molecular Weight:	223.23
Molecular Formula:	C14H9NO2
Canonical SMILES:	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[N+](=O)[O-]
InChI:	InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChI Key:	LSIKFJXEYJIZNB-UHFFFAOYSA-N
Boiling Point:	275 °C / 17 mmHg
Melting Point:	144-144 °C
Density:	1.316 g/cm³
Appearance:	Yellow solid.
Storage:	2-8 °C
MDL:	MFCD00001248
LogP:	4.42440
Vapor Pressure:	0.00000135 [mmHg]

Publication Number	Title	Priority Date
CN-110215914-A	A kind of solid-phase micro-extraction fibre and the preparation method and application thereof based on zeolite imidazole skeleton material ZIF-8	20190610
CN-110215914-B	Zeolite imidazole framework material ZIF-8-based solid-phase microextraction fiber and preparation method and application thereof	20190610
WO-2020230726-A1	Agent for protection against atmospheric pollutants and composition for protection against atmospheric pollutants	20190513
WO-2020230741-A1	Cancer cell proliferation suppression agent and composition for suppressing proliferation of cancer cells	20190513
US-2020324470-A1	Methodologies to rapidly cure and coat parts produced by additive manufacturing	20190409

PMID	Publication Date	Title	Journal
28186253	20170501	Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs	Toxicological sciences : an official journal of the Society of Toxicology
22257717	20120401	IR and Raman spectra of nitroanthracene isomers: substitional effects based on density functional theory study	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21296381	20110315	Organic compounds of PM2.5 in Mexico Valley: spatial and temporal patterns, behavior and sources	The Science of the total environment
21214230	20110210	Primary photochemistry of nitrated aromatic compounds: excited-state dynamics and NO· dissociation from 9-nitroanthracene	The journal of physical chemistry. A
20797769	20101015	Temporal variation of nitro-polycyclic aromatic hydrocarbons in PM10 and PM2.5 collected in Northern Mexico City	The Science of the total environment

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.06332853
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.06332853
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8