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4-溴-2-硝基苯胺 | 875-51-4

4-溴-2-硝基苯胺
4-Bromo-2-nitroaniline
875-51-4
C6H5BrN2O2
217.020100355148
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-溴-2-硝基苯胺结构式
24883888
4-溴-2-硝基苯胺价格
名称和标识符
MDL MFCD00041312
InChIKey ZCWBZRBJSPWUPG-UHFFFAOYSA-N
Inchi 1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
SMILES [O-][N+](C1C(N)=CC=C(Br)C=1)=O
BRN 2210198
别名信息
- 中文别名 -
  • 4-溴-2-硝基苯胺
  • 2-硝基-4-溴苯胺
  • 4-Bromo-2-nitroaniline 4-溴-2-硝基苯胺
  • 4-溴-2硝基苯胺
  • 4-溴-2-硝基苯胺(易制爆)
- 英文别名 -
  • 4-Bromo-2-nitroaniline
  • Benzenamine, 4-bromo-2-nitro-
  • 1-amino-4-bromo-2-nitrobenzene
  • 2-Nitro-4-bromoaniline
  • 4-bromo-2-nitro-aniline
  • 4-bromo-2-nitrobenzenamine
  • 4-Bromo-2-nitrobenzeneamine
  • 4-bromo-2-nitrooaniline
  • 4-Bromo-2-nitro-phenylamine
  • 4-Bromo-o-nitroaniline
  • Aniline,4-bromo-2-nitro
  • Benzenamine,4-bromo-2-nitro
  • p-bromonitroaniline
  • p-Bromo-o-nitroaniline
  • Aniline, 4-bromo-2-nitro-
  • 2-nitro-4-Bromo Aniline
  • 4-bromo-2-nitrophenylamine
  • ZCWBZRBJSPWUPG-UHFFFAOYSA-N
  • PubChem3817
  • 4bromo-2-nitroaniline
  • 4-bromo-6-nitroanili
  • 1-Amino-4-bromo-2-nitrobenzene
  • 4-bromo-2-nitroaniline
  • 4-Bromo-2-nitrobenzenamine (ACI)
  • Aniline, 4-bromo-2-nitro- (6CI, 7CI, 8CI)
  • (4-Bromo-2-nitrophenyl)amine
  • NSC 10069
  • NSC 37396
物化性质
实验特性
LogP 3.04390
PSA 71.84000
折射率 1.5150 (estimate)
沸点 308.7 °C at 760 mmHg
熔点 110.0 to 114.0 deg-C
闪点 140.5℃
颜色与性状 未确定
溶解性 未确定
密度 1.7917 (rough estimate)
计算特性
精确分子量 215.95300
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 0
同位素质量 215.953
重原子数量 11
复杂度 159
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.9
互变异构体数量
表面电荷 0
拓扑分子极性表面积 71.8
国际标准相关数据
EINECS 10069
海关数据
海关编码 2921420090
海关数据

中国海关编码:

2921420090

概述:

2921420090 其他苯胺衍生物及其盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

合成路线

合成路线:2 步

反应条件:
参考文献:
Copper-catalyzed mild nitration of protected anilines
Hernando, Elier; et al, Chemistry - A European Journal, 2014, 20(43), 13854-13859

合成路线:1 步

反应条件:
参考文献:
Subtype-Selective N-Methyl-D-Aspartate Receptor Antagonists: Synthesis and Biological Evaluation of 1-(Heteroarylalkynyl)-4-benzylpiperidines
Wright, Jon L.; et al, Journal of Medicinal Chemistry, 2000, 43(18), 3408-3419

合成路线:1 步

反应条件:
参考文献:
Environmentally benign chlorination and bromination of aromatic amines, hydrocarbons and naphthols
Vyas, Punita V.; et al, Tetrahedron Letters, 2003, 44(21), 4085-4088

合成路线:1 步

反应条件:
参考文献:
Copper-catalyzed mild nitration of protected anilines
Hernando, Elier; et al, Chemistry - A European Journal, 2014, 20(43), 13854-13859

合成路线:1 步

反应条件:
参考文献:
Synthesis and dual D2 and 5-HT1A receptor binding affinities of 5-piperidinyl and 5-piperazinyl-1H-benzo[d]imidazol-2(3H)-ones
Ullah, Nisar, Journal of Enzyme Inhibition and Medicinal Chemistry, 2014, 29(2), 281-291

合成路线:1 步

反应条件:
参考文献:
Preparation of some 2-(methoxyphenyl)-2H-benzotriazoles and the corresponding hydroxyphenyl compounds
Rosevear, Judi; et al, Australian Journal of Chemistry, 1987, 40(10), 1663-73

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted green synthesis of anilines, phenols, and benzenediamines without transition metals, ligands, or organic solvents
McConnell, N.; et al, Green Chemistry Letters and Reviews, 2018, 11(3), 286-295

合成路线:2 步

反应条件:
参考文献:
Practical chemoselective aromatic substitution: the synthesis of N-(4-halo-2-nitrophenyl)benzenesulfonamide through the efficient nitration and halogenation of N-phenylbenzenesulfonamide
Yu, Xiao; et al, Organic & Biomolecular Chemistry, 2022, 20(27), 5444-5451

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted approach to nitroaniline/aminopyridine and its inhibition activity of seed germination
Huang, Zhi-you; et al, Heterocycles, 2022, 104(8), 1415-1422

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted approach to nitroaniline/aminopyridine and its inhibition activity of seed germination
Huang, Zhi-you; et al, Heterocycles, 2022, 104(8), 1415-1422

合成路线:1 步

反应条件:
参考文献:
Features of molecular bromination of aromatic amines
Salahov, M. S.; et al, Azerbaidzhanskii Khimicheskii Zhurnal, 2014, (3), 22-27

合成路线:1 步

反应条件:
参考文献:
A Practical Procedure for Regioselective Bromination of Anilines
Takahashi, Yusuke; et al, Synthesis, 2021, 53(10), 1828-1832

合成路线:1 步

反应条件:
参考文献:
Bis(dimethylacetamide)hydrogen dibromobromate: new brominating agent
Rodygin, M. Yu.; et al, Zhurnal Organicheskoi Khimii, 1992, 28(9), 1926-7

合成路线:2 步

反应条件:
参考文献:
Sodium persulfate-promoted site-selective synthesis of mononitroarylamines under transition-metal-free conditions
Xie, De-Xun; et al, Tetrahedron, 2019, 75(9), 1157-1165

合成路线:1 步

反应条件:
参考文献:
Selective solid-state bromination of anilines and phenols
Toda, Fumio; et al, Green Chemistry, 2003, 5(6), 701-703

合成路线:1 步

反应条件:
参考文献:
Practical chemoselective aromatic substitution: the synthesis of N-(4-halo-2-nitrophenyl)benzenesulfonamide through the efficient nitration and halogenation of N-phenylbenzenesulfonamide
Yu, Xiao; et al, Organic & Biomolecular Chemistry, 2022, 20(27), 5444-5451

合成路线:1 步

反应条件:
参考文献:
Transition-Metal-Free Hypervalent Iodine(III) Reagent-Promoted Site-Selective Solid-Phase Synthesis of Mononitroarylamines
An, Delie; et al, ChemistrySelect, 2018, 3(45), 12946-12950

合成路线:2 步

反应条件:
参考文献:
Synthesis and evaluation of benzimidazole derivatives as Protein tyrosine phosphatase (PTP1B) inhibitors
Thakkar, Dv; et al, Journal of Chemical and Pharmaceutical Research, 2017, 9(11), 46-54

合成路线:2 步

反应条件:
参考文献:
Practical chemoselective aromatic substitution: the synthesis of N-(4-halo-2-nitrophenyl)benzenesulfonamide through the efficient nitration and halogenation of N-phenylbenzenesulfonamide
Yu, Xiao; et al, Organic & Biomolecular Chemistry, 2022, 20(27), 5444-5451

合成路线:1 步

反应条件:
参考文献:
Fast and efficient bromination of aromatic compounds with ammonium bromide and oxone
Naresh, Mameda; et al, Synthesis, 2013, 45(11), 1497-1504

合成路线:1 步

反应条件:
参考文献:
Direct nitration of anilines using nitrocyclohexadienones
Lemaire, M.; et al, Synthesis, 1989, (10), 761-3

合成路线:2 步

反应条件:
参考文献:
Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group
Pawar, Govind Goroba; et al, Organic Letters, 2016, 18(3), 448-451

合成路线:1 步

反应条件:
参考文献:
Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group
Pawar, Govind Goroba; et al, Organic Letters, 2016, 18(3), 448-451

合成路线:3 步

反应条件:
参考文献:
Synthesis and evaluation of benzimidazole derivatives as Protein tyrosine phosphatase (PTP1B) inhibitors
Thakkar, Dv; et al, Journal of Chemical and Pharmaceutical Research, 2017, 9(11), 46-54

合成路线:1 步

反应条件:
参考文献:
The synthesis of 1,2-ethanediylbis(triphenylphosphonium) ditribromide as a new brominating agent in the presence of solvents and under solvent-free conditions
Salmasi, Reihaneh; et al, Journal of the Iranian Chemical Society, 2016, 13(11), 2019-2028

合成路线:2 步

反应条件:
参考文献:
Transition-Metal-Free Hypervalent Iodine(III) Reagent-Promoted Site-Selective Solid-Phase Synthesis of Mononitroarylamines
An, Delie; et al, ChemistrySelect, 2018, 3(45), 12946-12950

合成路线:1 步

反应条件:
参考文献:
Sodium persulfate-promoted site-selective synthesis of mononitroarylamines under transition-metal-free conditions
Xie, De-Xun; et al, Tetrahedron, 2019, 75(9), 1157-1165

合成路线:2 步

反应条件:
参考文献:
Preparation of some 2-(methoxyphenyl)-2H-benzotriazoles and the corresponding hydroxyphenyl compounds
Rosevear, Judi; et al, Australian Journal of Chemistry, 1987, 40(10), 1663-73
相关文献
专业数据库参考
PubChemId 24883888
参考资料
Reaxys RN 2210198
Beilstein 12(3)1670
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