4′-Nitroacetophenone - ≥97% , CAS No.100-19-6

CAS: 100-19-6 Cat. No.: N105745 Molecular Weight: 165.14 Beilstein Registry Number: 7288 EC Number: 202-827-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
4 inverted exclamation mark -Nitroacetophenone | p-Acetylnitrobenzene | Tox21_200265 | EN300-19195 | NITROACETOPHENONE, P- | AC1233 | 1-(4-Nitrophenyl)ethanone # | 1-Acetyl-4-nitrobenzene | 4nitro acetophenone | 4-nitro acetophenone | F0001-0011 | MLS0021
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
25g
N105745-25g
7
$9.90
100g
N105745-100g
10
$10.90
500g
N105745-500g
1

$34.90

$52.90
Save $18.00 (34.03%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4 inverted exclamation mark -Nitroacetophenone | p-Acetylnitrobenzene | Tox21_200265 | EN300-19195 | NITROACETOPHENONE, P- | AC1233 | 1-(4-Nitrophenyl)ethanone # | 1-Acetyl-4-nitrobenzene | 4nitro acetophenone | 4-nitro acetophenone | F0001-0011 | MLS0021
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488180459
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180459
Canonical SmilesCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
IUPAC Name1-(4-nitrophenyl)ethanone
InChIKeyYQYGPGKTNQNXMH-UHFFFAOYSA-N
INCHI1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
Isomeric SMILES CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
WGK Germany 3
RTECS AM9627000
UN Number 2811
Packing Group I
Molecular Weight 165.14
Beilstein 7288
Reaxy-Rn 607777
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607777&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Nitrobenzenes  Acetophenones  Nitroaromatic compounds  Benzoyl derivatives  Aryl alkyl ketones  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors C-nitro compound - acetophenones
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Akr1c9 3-alpha-hydroxysteroid dehydrogenase (27 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
G1811028Certificate of AnalysisFeb 05, 2026 N105745
I2404102Certificate of AnalysisSep 11, 2024 N105745
F2411368Certificate of AnalysisApr 25, 2024 N105745
D1629070Certificate of AnalysisDec 19, 2023 N105745
D2321427Certificate of AnalysisMay 06, 2022 N105745
D2321429Certificate of AnalysisMay 06, 2022 N105745
Chemical and Physical Properties
SolubilityEasily soluble in hot ethanol, ether, and benzene, insoluble in water.
Boil Point(°C)202°C
Melt Point(°C)79°C
Molecular Weight165.150 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass165.043 Da
Monoisotopic Mass165.043 Da
Topological Polar Surface Area62.900 Ų
Heavy Atom Count12
Formal Charge0
Complexity189.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Kai Sun, Yuewen Shao, Cong Ming, Mengjiao Fan, Huailin Fan, Lijun Zhang, Shu Zhang, Yi Wang, Guozhu Chen, Xun Hu.  (2023)  Copper-based catalysts synthesized during hydrogenation.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2023.118819]
2. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing.  (2021)  Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds.  Nature Communications,  12  (1): (1-12).  [PMID:34376654] [10.1038/s41467-021-25118-0]
3. Hongbo Yu, Chunzheng Wu, Shiwei Wang, Tong Li, Hongfeng Yin.  (2021)  Transition Metal Oxide-Modified Ir Nanoparticles Supported on SBA-15 Silica for Selective Hydrogenation of Substituted Nitroaromatics.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c01164]
4. Binbin Feng, Qionghao Xu, Xiaoxue Wu, Chunlin Ye, Yanghe Fu, De-Li Chen, Fumin Zhang, Weidong Zhu.  (2021)  MOF-derived N-doped carbon composites embedded with Fe/Fe3C nanoparticles as highly chemoselective and stable catalysts for catalytic transfer hydrogenation of nitroarenes.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2021.149837]
5. Shuchang Wu, Guodong Wen, Yang Su, Xiaoli Pan, Hua Yan, Jiangyong Diao, Hongyang Liu.  (2021)  Bottom-Up Approach Derived Iron and Nitrogen Cofunctionalized Carbon as Efficient Renewable Catalyst for Selective Reduction of Nitroarenes.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c00620]
6. Liyun Huang, Kui Wu, Qian He, Chao Xiong, Tao Gan, Xiaohui He, Hongbing Ji.  (2021)  Quasi-continuous synthesis of iron single atom catalysts via a microcapsule pyrolysis strategy.  AICHE JOURNAL,  67  (6): (e17197).  [PMID:] [10.1002/aic.17197]
7. Hongbo Yu, Weiqiang Tang, Kaijie Li, Shuangliang Zhao, Hongfeng Yin, Shenghu Zhou.  (2019)  Enhanced Catalytic Performance for Hydrogenation of Substituted Nitroaromatics over Ir-Based Bimetallic Nanocatalysts.  ACS Applied Materials & Interfaces,      [PMID:30674185] [10.1021/acsami.8b19056]
8. Hongbo Yu, Weiqiang Tang, Kaijie Li, Hongfeng Yin, Shuangliang Zhao, Shenghu Zhou.  (2018)  Design of Cu-based intermetallic nanocrystals for enhancing hydrogenation selectivity.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2018.11.024]
9. Dandan Wu, Yanqiao Zhang, Ming Wen, Hao Fang, Qingsheng Wu.  (2017)  Fe3O4/FeNi Embedded Nanostructure and Its Kinetic Law for Selective Catalytic Reduction of p-Nitrophenyl Compounds.  INORGANIC CHEMISTRY,      [PMID:28426207] [10.1021/acs.inorgchem.7b00304]
10. Miaomiao Liu, Weiqiang Tang, Zhaohui Xie, Hongbo Yu, Hongfeng Yin, Yisheng Xu, Shuangliang Zhao, Shenghu Zhou.  (2017)  Design of Highly Efficient Pt-SnO2 Hydrogenation Nanocatalysts using Pt@Sn Core–Shell Nanoparticles.  ACS Catalysis,      [PMID:] [10.1021/acscatal.6b03109]
11. Hao Fang, Ming Wen, Hanxing Chen, Qingsheng Wu, Weiying Li.  (2015)  Graphene stabilized ultra-small CuNi nanocomposite with high activity and recyclability toward catalysing the reduction of aromatic nitro-compounds.  Nanoscale,  (1): (536-542).  [PMID:26646949] [10.1039/C5NR05016B]
12. Lu-Lu Liu, Xin-Guo Zheng, Zhen Sun, Ying-Han Wang.  (2015)  Solubility and liquid crystal vertical alignment of polyimides derived from a new diamine: 4-((4-dodecyloxy)phenyl)-2,6-di((4-amino)phenyl)pyridine.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2015.1050705]
13. Kefa Sheng, Hongyu Xia, Jianping Ge.  (2024)  Highly dispersed Pd nanoparticles supported by magnetically separable Fe3O4@ SiO2 nanotube for catalytic hydrogenation of nitroaromatics.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39059282] [10.1016/j.jcis.2024.07.156]
14. Qiao-Ling Mo, Rui Xiong, Jun-Hao Dong, Bai-Sheng Sa, Jing-Ying Zheng, Qing Chen, Yue Wu, Fang-Xing Xiao.  (2024)  Identification of origin of insulating polymer maneuvered photoredox catalysis.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(24)60070-7]
15. Tingting Liu, Zizhu Wang, Mingxi Liu, Tao Hu, Shenghu Zhou.  (2022)  Synthesis of Hollow Silica Nanotubes from Linear Metallosupramolecular Polyelectrolytes and Their Application as Catalyst Supports for Hydrogenation.  ACS Applied Materials & Interfaces,      [PMID:35050583] [10.1021/acsami.1c22780]
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