基本描述

别名	对硝基乙酰苯,4-硝基苯乙酮
英文别名	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
规格或纯度	≥97%
英文名称	4′-Nitroacetophenone
运输条件	常规运输
产品介绍	易溶于热乙醇、乙醚和苯，不溶于水。

AI解读

关联靶点（人）

AR Tclin Androgen Receptor (11781 活性数据)

点击查看靶蛋白信息： AR

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 活性数据)

点击查看靶蛋白信息： CXCL8

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Mapk1 MAP kinase ERK2 (650 活性数据)

点击查看靶蛋白信息： Mapk1

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Salmonella typhimurium (15756 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Akr1c9 3-alpha-hydroxysteroid dehydrogenase (27 活性数据)

点击查看靶蛋白信息： Akr1c9

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)

点击查看靶蛋白信息： Nfe2l2

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488180459
EC号	MFCD00007355
分子类型	小分子
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
Canonical SMILES	CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
WGK Germany	3
RTECS	AM9627000
UN Number	2811
Packing Group	I
分子量	165.14
Beilstein号	7288
Reaxy-Rn	607777

化学和物理性质

溶解性	易溶于热乙醇、乙醚和苯，不溶于水。
密度	0.855
沸点	202°C
熔点	79°C
分子量	165.150 g/mol
XLogP3	1.500
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	165.043 Da
单同位素质量Monoisotopic Mass	165.043 Da
拓扑极表面积Topological Polar Surface Area	62.900 Å²
重原子数Heavy Atom Count	12
形式电荷Formal Charge	0
复杂度Complexity	189.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

WGK Germany	3
RTECS	AM9627000
Reaxy-Rn	607777
Class	6.1
个人防护装备	Eyeshields， Gloves， type N95 (US)， type P1 (EN143) respirator filter

技术规格说明书

Melting point	76-80（℃）
Water by Karl Fischer	0-0.5（%）
Free acid (AS 4-Nitrobenzoic acid)	0-0.2（%）
Purity(GC)	97-100（%）
Appearance（N105745)	Yellow powder, crystals or flakes and/or chunks
Infrared spectrum	Conforms to Structure
Solubility in MeOH，Very faint turbidity	pass

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

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找到6个结果

批号(Lot Number)	证书类型	日期	货号
I2404102	分析证书	24-09-11	N105745
F2411368	分析证书	24-04-25	N105745
D1629070	分析证书	23-12-19	N105745
D2321427	分析证书	22-05-06	N105745
D2321429	分析证书	22-05-06	N105745
G1811028	分析证书	22-05-06	N105745

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站?

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, 276 (118819). [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, 4 (7): (7213–7220). [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, 557 (149837). [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, 125 (9): (5127–5135). [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). [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, 11 (7): (6958–6969). [PMID:30674185] [10.1021/acsami.8b19056]
8. Hongbo Yu, Weiqiang Tang, Kaijie Li, Hongfeng Yin, Shuangliang Zhao, Shenghu Zhou. (2019) Design of Cu-based intermetallic nanocrystals for enhancing hydrogenation selectivity. CHEMICAL ENGINEERING SCIENCE, 196 (402). [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, 56 (9): (5152–5157). [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, 7 (3): (1583–1591). [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, 8 (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, 42 (10): (1382-1390). [10.1080/02678292.2015.1050705]

参考文献

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2. A M Rauth,R A McClelland,H B Michaels,R Battistella. (1984-08-01) The oxygen dependence of the reduction of nitroimidazoles in a radiolytic model system.. International journal of radiation oncology, biology, physics, 10 ((8)): (1323-1326). [PMID:6236187]
3. M V Lafleur,H Loman. (1982-03-01) Influence of anoxic sensitizers on the radiation damage in biologically active DNA in aqueous solution.. International journal of radiation biology and related studies in physics, chemistry, and medicine, 41 ((3)): (295-302). [PMID:6279534]
4. M Abe,M Takahashi,K Ono,M Hiraoka. (1982-06-01) [Cancer and radiotherapy. (4). Hypoxic cell sensitizers and hyperthermia combined with radiation in cancer treatment].. Iyo denshi to seitai kogaku. Japanese journal of medical electronics and biological engineering, 20 ((3)): (203-209). [PMID:6759728]
5. G J Fisher,B M Sutherland,J C Sutherland. (1983-05-01) Action spectra for ultraviolet photosensitized killing of mammalian cells by misonidazole and para-nitroacetophenone.. Radiation research, 94 ((2)): (231-238). [PMID:6856772]
6. K Tatsumi,A Inoue,H Yoshimura. (1981-02-01) Mode of reactions between xanthine oxidase and aromatic nitro compounds.. Journal of pharmacobio-dynamics, 4 ((2)): (101-108). [PMID:6895090]
7. Y G Smeyers,A De Bueren,R Alcala,M V Alvarez. (1981-06-01) Theoretical approach for radiosensitizers. Correlation between calculated electroaffinity and sensitization factors of nitro-compounds.. International journal of radiation biology and related studies in physics, chemistry, and medicine, 39 ((6)): (649-653). [PMID:6972930]
8. B C Millar,E M Fielden,T C Jenkins. (1981-11-01) The effect of combinations of nitroaromatic and nitroxyl radiosensitizers on the radiation survival response of Chinese hamster cells, V.79-753B, in vitro.. Radiation research, 88 ((2)): (369-376). [PMID:7302142]
9. C M Krishna,A K Roy. (1993-02-01) Study of photodynamic reactions of p-nitroacetophenone using ESR and optical techniques.. Indian journal of biochemistry & biophysics, 30 ((1)): (7-9). [PMID:8389727]
10. N Iwata,N Inazu,S Hara,T Yanase,S Kano,T Endo,F Kuriiwa,Y Sato,T Satoh. (1993-04-22) Interindividual variability of carbonyl reductase levels in human livers.. Biochemical pharmacology, 45 ((8)): (1711-1714). [PMID:8484808]
11. J M Wong,W Kalow,D Kadar,Y Takamatsu,T Inaba. (1993-04-01) Carbonyl (phenone) reductase in human liver: inter-individual variability.. Pharmacogenetics, 3 ((2)): (110-115). [PMID:8518835]
12. E M Fielden,D Ewing,P B Roberts. (1974-06-01) Additive effects in the radiosensitization of B. megaterium spores by p-nitroacetophenone and norpseudopelletierine-N-oxyl.. Radiation research, 58 ((3)): (489-497). [PMID:10876639]
13. Wing-Yin Tsang,John P Richard. (2009-10-01) Structure-reactivity effects on primary deuterium isotope effects on protonation of ring-substituted alpha-methoxystyrenes.. Journal of the American Chemical Society, 131 ((39)): (13952-13962). [PMID:19788330]
14. Amy Christiansen,Alexa Peterson,Scott C Anderson,Riley Lass,Maja Johnson,Amanda M Nienow. (2015-12-01) Analysis of the Photodegradation of the Imidazolinone Herbicides Imazamox, Imazapic, Imazaquin, and Imazamethabenz-methyl in Aqueous Solution.. Journal of agricultural and food chemistry, 63 ((50)): (10768-10777). [PMID:26616105]
15. Reid P Milstead,Keeton T Nance,Kulananalu S Tarnas,Kira E Egelhofer,David R Griffith. (2018-09-14) Photochemical degradation of halogenated estrogens under natural solar irradiance.. Environmental science. Processes & impacts, 20 ((10)): (1350-1360). [PMID:30211921]
16. Priya I Hora,William A Arnold. (2020-05-15) Photochemical fate of quaternary ammonium compounds in river water.. Environmental science. Processes & impacts, 22 ((6)): (1368-1381). [PMID:32406464]
17. P J Rao,E Bothe,D Schulte-Frohlinde. (1992-05-01) Reaction of dithiothreitol and para-nitroacetophenone with different radical precursors of .OH radical-induced strand break formation of single-stranded DNA in anoxic aqueous solution.. International journal of radiation biology, 61 ((5)): (577-591). [PMID:1349622]
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20. C T Aravindakumar,H Mohan,M Mudaliar,B S Rao,J P Mittal,M N Schuchmann,C Von Sonntag. (1994-10-01) Addition of e-aq and H atoms to hypoxanthine and inosine and the reactions of alpha-hydroxyalkyl radicals with purines. A pulse radiolysis and product analysis study.. International journal of radiation biology, 66 ((4)): (351-365). [PMID:7930837]
21. N Cénas,K Ollinger. (1994-11-15) Redox conversions of methemoglobin during redox cycling of quinones and aromatic nitrocompounds.. Archives of biochemistry and biophysics, 315 ((1)): (170-176). [PMID:7979395]
22. O A Barski,K Watanabe. (1993-04-05) Kinetic mechanism of ketoreductase activity of prostaglandin F synthase from bovine lung.. FEBS letters, 320 ((2)): (107-110). [PMID:8458424]
23. D A Agnew,L D Skarsgard. (1974-02-01) Chemical radiosensitization of anoxic mammalian cells: effect of cell concentration.. Radiation research, 57 ((2)): (246-259). [PMID:10874940]
24. D Ewing,E M Fielden,P B Roberts. (1974-06-01) Modification of radiation sensitivity of Bacillus megaterium spores by N2O and p-nitroacetophenone.. Radiation research, 58 ((3)): (481-488). [PMID:10876638]
25. Grant C Wallace,Michael Sander,Yu-Ping Chin,William A Arnold. (2017-05-04) Quantifying the electron donating capacities of sulfide and dissolved organic matter in sediment pore waters of wetlands.. Environmental science. Processes & impacts, 19 ((5)): (758-767). [PMID:28466914]
26. Lise Schoonen,Kayleigh S van Esterik,Chunqiu Zhang,Rein V Ulijn,Roeland J M Nolte,Jan C M van Hest. (2017-11-09) Alternative application of an affinity purification tag: hexahistidines in ester hydrolysis.. Scientific reports, 7 ((1)): (14772-14772). [PMID:29116178]
27. Katryn L Williams,Richie Kaur,Alexander S McFall,Jacob Kalbfleisch,Joshua J Gladfelder,David B Ball,Cort Anastasio,Ronald S Tjeerdema. (2018-05-15) Aqueous Photolysis of Benzobicyclon Hydrolysate.. Journal of agricultural and food chemistry, 66 ((22)): (5462-5472). [PMID:29754487]
28. 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, 276 (118819). [10.1016/j.ces.2023.118819]
29. 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]
30. 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, 4 (7): (7213–7220). [10.1021/acsanm.1c01164]
31. 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, 557 (149837). [10.1016/j.apsusc.2021.149837]
32. 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, 125 (9): (5127–5135). [10.1021/acs.jpcc.1c00620]
33. 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). [10.1002/aic.17197]
34. 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, 11 (7): (6958–6969). [PMID:30674185] [10.1021/acsami.8b19056]
35. Hongbo Yu, Weiqiang Tang, Kaijie Li, Hongfeng Yin, Shuangliang Zhao, Shenghu Zhou. (2019) Design of Cu-based intermetallic nanocrystals for enhancing hydrogenation selectivity. CHEMICAL ENGINEERING SCIENCE, 196 (402). [10.1016/j.ces.2018.11.024]
36. 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, 56 (9): (5152–5157). [PMID:28426207] [10.1021/acs.inorgchem.7b00304]
37. 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, 7 (3): (1583–1591). [10.1021/acscatal.6b03109]
38. 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, 8 (1): (536-542). [PMID:26646949] [10.1039/C5NR05016B]
39. 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, 42 (10): (1382-1390). [10.1080/02678292.2015.1050705]

溶液计算器

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货号 (SKU)	包装规格	是否现货
N105745-25g	25g	现货
N105745-100g	100g	现货
N105745-500g	500g	现货
N105745-2.5kg	2.5kg	期货

对硝基苯乙酮

库存信息

库存信息

库存信息

库存信息

基本描述

AI解读

关联靶点（人）

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

相关文档

此产品的引用文献

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器