Home Nitro Compounds 602-60-8
602-60-8,MFCD00001248
Catalog No.:AA003NIQ
602-60-8 | 9-Nitroanthracene
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Technical Information
Catalog Number:
AA003NIQ
Chemical Name:
9-Nitroanthracene
CAS Number:
602-60-8
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD00001248
IUPAC Name:
9-nitroanthracene
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
SMILES:
[O-][N+](=O)c1c2ccccc2cc2c1cccc2
EC Number:
210-021-9
UNII:
JZ1TB3N57P
NSC Number:
47175
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Synonyms
 
9-nitroanthracene 
9-NITROANTHRACENE 
JZ1TB3N57P 
CHEBI:82501 
LSIKFJXEYJIZNB-UHFFFAOYSA-N 
NCGC00091602-02 
W-203247 
9-Nitro anthracene 
PubChem15119 
ACMC-20ab5c 
9-Nitroanthracene, 93% 
DSSTox_CID_5730 
602-60-8 
DSSTox_RID_77896 
DSSTox_GSID_25730 
SCHEMBL57759 
MLS002454383 
AC1L1Y33 
CHEMBL166112 
DTXSID5025730 
CTK2F8141 
LSIKFJXEYJIZNB-UHFFFAOYSA- 
HMS3039K17 
Anthracene, 9-nitro- 
ZINC157489 
NSC47175 
Tox21_400025 
8981AB 
ANW-65374 
MFCD00001248 
NSC-47175 
SBB069528 
STK044217 
AKOS003595740 
5-Nitroanthracene 
LS-1435 
MCULE-1577784817 
NCGC00091602-01 
NCGC00091602-03 
AJ-15045 
AK102814 
AN-46322 
CAS-602-60-8 
SMR001372000 
AX8234353 
UNII-JZ1TB3N57P 
DB-022278 
TR-020832 
FT-0621681 
N0987 
ST24024596 
ST45021344 
C19470 
602N608 
A832660 
S14-1091 
9-Nitro-anthracene 
9-Nitroanthracene, BCR(R) certified Reference Material 
9-Nitroanthracene, matrix substance for MALDI-MS, >=98.5% (HPLC) 
InChI=1/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H 
C14H9NO2 
C14-H9-N-O2 
CID11767 
C035016 
CCRIS 4679 
EINECS 210-021-9 
NSC 47175 
Literature

Title: Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20170501

Title: IR and Raman spectra of nitroanthracene isomers: substitional effects based on density functional theory study.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120401

Title: Organic compounds of PM2.5 in Mexico Valley: spatial and temporal patterns, behavior and sources.

Journal: The Science of the total environment 20110315

Title: Primary photochemistry of nitrated aromatic compounds: excited-state dynamics and NO· dissociation from 9-nitroanthracene.

Journal: The journal of physical chemistry. A 20110210

Title: Temporal variation of nitro-polycyclic aromatic hydrocarbons in PM10 and PM2.5 collected in Northern Mexico City.

Journal: The Science of the total environment 20101015

Title: Aromatic electron acceptors change the chirality dependence of single-walled carbon nanotube oxidation.

Journal: Langmuir : the ACS journal of surfaces and colloids 20090915

Title: Nitropolycyclic aromatic hydrocarbons are inducers of mitotic homologous recombination in the wing-spot test of Drosophila melanogaster.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20080701

Title: Secondary effects of catalytic diesel particulate filters: conversion of PAHs versus formation of nitro-PAHs.

Journal: Environmental science & technology 20080515

Title: Analysis of rosin and modified rosin esters in adhesives by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS).

Journal: Forensic science international 20080407

Title: Degradation of polycyclic aromatic hydrocarbons by Rigidoporus lignosus and its laccase in the presence of redox mediators.

Journal: Applied biochemistry and biotechnology 20080401

Title: 9-Nitroanthracene derivative as a precursor of anthraquinone for photodynamic therapy.

Journal: Bioorganic & medicinal chemistry 20070601

Title: Singlet excited-state dynamics of nitropolycyclic aromatic hydrocarbons: direct measurements by femtosecond fluorescence up-conversion.

Journal: The journal of physical chemistry. A 20070201

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Gas-phase ambient air contaminants exhibit significant dioxin-like and estrogen-like activity in vitro.

Journal: Environmental health perspectives 20060501

Title: Application and evaluation of solvent-free matrix-assisted laser desorption/ionization mass spectrometry for the analysis of derivatized fullerenes.

Journal: European journal of mass spectrometry (Chichester, England) 20060101

Title: In-plume thermodynamics of the MALDI generation of fluorofullerene anions.

Journal: The journal of physical chemistry. A 20050203

Title: Derivatised carbon powder electrodes: reagentless pH sensors.

Journal: Talanta 20040708

Title: Marcus theory of outer-sphere heterogeneous electron transfer reactions: dependence of the standard electrochemical rate constant on the hydrodynamic radius from high precision measurements of the oxidation of anthracene and its derivatives in nonaqueous solvents using the high-speed channel electrode.

Journal: Journal of the American Chemical Society 20040519

Title: HPLC retention behavior of poly-aromatic-hydrocarbons on aminopropyl silica gels modified with Cu(II)- and Ni(II)-phthalocyanine derivatives in non-polar eluent.

Journal: Chemical & pharmaceutical bulletin 20040101

Title: Application of 9-nitroanthracene as a matrix for laser desorption/ionization analysis of fluorinated fullerenes.

Journal: Rapid communications in mass spectrometry : RCM 20040101

Title: Contamination is a frequent confounding factor in toxicology studies with anthraquinone and related compounds.

Journal: International journal of toxicology 20040101

Title: The preparation of anthraquinone used in the National Toxicology Program cancer bioassay was contaminated with the mutagen 9-nitroanthracene.

Journal: Mutagenesis 20010301

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