Home Nitro Compounds 100-19-6
100-19-6,MFCD00007355
Catalog No.:AA00002X
100-19-6 | Ethanone, 1-(4-nitrophenyl)-
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5g
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Technical Information
Catalog Number:
AA00002X
Chemical Name:
Ethanone, 1-(4-nitrophenyl)-
CAS Number:
100-19-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00007355
IUPAC Name:
1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChI Key:
YQYGPGKTNQNXMH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
202-827-4
NSC Number:
41590
UN Number:
2811
Properties
Computed Properties
 
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
4-nitroacetophenone 
p-nitroacetophenone 
Paranitroacetophenone 
Z1258578312 
4'-nitroacetophenon 
C8H7NO3 
CID7487 
C8-H7-N-O3 
AR-1L1376 
4'-Nitroacetophenone, 98% - 100G 100g 
4-Nitroacetophenone 98% for synthesis 250gm 
C001972 
10059-13-9 
p-Nitrophenyl methyl ketone 
Methyl-p-nitrophenyl ketone 
PNAP 
Acetophenone, 4'-nitro- 
p-nitrobenzoyl 
NSC 41590 
4-Acetylnitrobenzene 
CCRIS 1676 
1-Acetyl-4-nitrobenzene 
p-Nitroacetophenone 
4-nitrophenylacetoaldehyde 
EINECS 202-827-4 
MFCD00007355 
AI3-19032 
CHEBI:28735 
YQYGPGKTNQNXMH-UHFFFAOYSA-N 
p-Nitroacetophenone, 97% 
4nitro acetophenone 
p-nitro acetophenone 
p-Nitro-acetophenone 
4'-Nitroacetophenone 
4-nitro acetophenone 
p-(nitrophenyl)carbonyl 
4-(nitrophenyl)carbonyl 
AC1L1OVD 
AC1Q1JNN 
AC1Q5ASJ 
DSSTox_CID_5724 
ACMC-2097nd 
Epitope ID:138720 
4-nitrophenyl methyl ketone 
100-19-6 
Methyl 4-nitrophenyl ketone 
DSSTox_RID_77893 
PARA-NITROACETOPHENONE 
1-(4-nitro-phenyl)ethanone 
1-(4-nitrophenyl)-ethanone 
DSSTox_GSID_25724 
SCHEMBL27765 
4'-Nitroacetophenone, 98% 
KSC492Q2T 
MLS002152933 
1-(4-Nitrophenyl)ethanone 
1-(4-Nitrophenyl)ethanone # 
CHEMBL167997 
DTXSID1025724 
SCHEMBL11922684 
CHEBI:60546 
CTK3J2829 
HMS3039I06 
ZINC164801 
NSC41590 
Tox21_200265 
4-NITROACETOPHENONE 
ANW-14183 
BBL010615 
LS-296 
NSC-41590 
SBB040245 
STK328124 
AKOS000118933 
CS-W020570 
MCULE-1366613088 
NE10483 
p-Acetylnitrobenzene 
PS-4614 
TRA0008760 
Ethanone, 1-(4-nitrophenyl)- (9CI) 
NCGC00091379-01 
NCGC00091379-02 
NCGC00257819-01 
AC-10991 
AJ-16291 
AK-46491 
BP-13008 
1-(4-Nitrophenyl)ethan-1-one 
CAS-100-19-6 
CJ-02226 
SC-47226 
SMR001224529 
SY011156 
ZB008306 
AB0012597 
AB1002360 
RT-001040 
FT-0689209 
Ethanone, 1-(4-nitrophenyl)- 
N0111 
ST24037415 
ST50213405 
4 inverted exclamation mark -Nitroacetophenone 
C02803 
MFCD00007355 (97+%) 
AH-214/02411035 
I01-8822 
W-108972 
F0001-0011 
Literature

Title: Molecular and biochemical characterisation of human short-chain dehydrogenase/reductase member 3 (DHRS3).

Journal: Chemico-biological interactions 20150605

Title: Electron-affinic sensitization VII. A correlation between structures, one-electron reduction potentials, and efficiencies of nitroimidazoles as hypoxic cell radiosensitizers. 1976.

Journal: Radiation research 20120801

Title: Pathways of electron transfer photosensitized by thiacyanine dimers.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20120601

Title: Ethyl 5-(4-amino-phen-yl)isoxazole-3-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: Screening of microorganisms producing cold-active oxidoreductases to be applied in enantioselective alcohol oxidation. An Antarctic survey.

Journal: Marine drugs 20110101

Title: Synthesis of chiral macrocyclic or linear pyridine carboxamides from pyridine-2,6-dicarbonyl dichloride as antimicrobial agents.

Journal: Molecules (Basel, Switzerland) 20100920

Title: Structure-reactivity effects on primary deuterium isotope effects on protonation of ring-substituted alpha-methoxystyrenes.

Journal: Journal of the American Chemical Society 20091007

Title: N,N,N,N-Tetra-ethyl-6-{2-[(E)-1-(4-nitro-phen-yl)ethyl-idene]hydrazino}-1,3,5-triazine-2,4-diamine.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: 2-(4-Isobutyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propanohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20090301

Title: N'-[1-(4-Nitro-phen-yl)ethyl-idene]acetohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: Experimental and QSAR of acetophenones as antibacterial agents.

Journal: Chemical biology & drug design 20081001

Title: 1-[1-(4-Nitro-phen-yl)ethyl-idene]thio-semicarbazide.

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: (E)-3-(4-Methyl-phen-yl)-1-(4-nitro-phenyl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

Title: (E)-3-(2-Chloro-phen-yl)-1-(4-nitro-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

Title: Electronic effects of para-substitution on acetophenones in the reaction of rat liver 3alpha-hydroxysteroid dehydrogenase.

Journal: Bioorganic & medicinal chemistry 20080201

Title: Iron-mediated microbial oxidation and abiotic reduction of organic contaminants under anoxic conditions.

Journal: Environmental science & technology 20071115

Title: One-electron reduction of methanesulfonyl chloride. The fate of MeSO2Cl(.)(-) and MeSO2(.) intermediates in oxygenated solutions and their role in the cis-trans isomerization of mono-unsaturated fatty acids.

Journal: Journal of the American Chemical Society 20070718

Title: Synthesis, antiviral, antituberculostic, and antibacterial activities of some novel, 4-(4-substituted phenyl)-6-(4-nitrophenyl)-2-(substituted imino)pyrimidines.

Journal: Archiv der Pharmazie 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: Reduction of nitroaromatic compounds by Fe(II) species associated with iron-rich smectites.

Journal: Environmental science & technology 20060101

Title: Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO*OH) by time-resolved EPR.

Journal: The journal of physical chemistry. A 20050113

Title: A polymer membrane containing Fe(0) as a contaminant barrier.

Journal: Environmental science & technology 20040401

Title: A solid-state nitrogen-15 NMR and ab initio study of nitrobenzenes.

Journal: The Journal of organic chemistry 20030530

Title: Longevity of granular iron in groundwater treatment processes: solution composition effects on reduction of organohalides and nitroaromatic compounds.

Journal: Environmental science & technology 20030315

Title: Delayed hypersensitivity to hapten-protein conjugates. I. The effect of carrier protein and site of attachment to hapten.

Journal: The Journal of experimental medicine 19620501

Title: Delayed hypersensitivity to hapten-protein conjugates. II. Anti-hapten specificity and the heterogeneity of the delayed response.

Journal: The Journal of experimental medicine 19620501

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