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

CAS: 100-19-6 Cat. No.: N105745 Peso molecular: 165.14 Beilstein Registry Number: 7288 Número EC: 202-827-4
Disponible para pedir
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
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25g
N105745-25g
7
9,90US$
100g
N105745-100g
10
10,90US$
500g
N105745-500g
1

34,90US$

52,90US$
Guardar 18,00 US$ (34.03%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
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
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid488180459
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180459
Sonrisas canónicasCC(=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
Isómeros SMILES CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
WGK Alemania 3
RTECS AM9627000
Número ONU 2811
Grupo de embalaje I
Peso molecular 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.

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 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
ClaseOrganooxygen 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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
Objetivos asociados (no humanos)
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
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 TypeFechaArticulo
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
Propiedades químicas y físicas
SolubilidadEasily soluble in hot ethanol, ether, and benzene, insoluble in water.
Punto de ebullición (°C)202°C
Punto de fusión (°C)79°C
Peso molecular165.150 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
Referencias
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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