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4-氯-2-硝基苯酚 | 89-64-5

4-氯-2-硝基苯酚
4-Chloro-2-nitrophenol
89-64-5
C6H4ClNO3
173.553860664368
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-氯-2-硝基苯酚结构式
6980
4-氯-2-硝基苯酚价格
名称和标识符
MDL MFCD00007113
InChIKey NWSIFTLPLKCTSX-UHFFFAOYSA-N
Inchi 1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
SMILES [O-][N+](C1C(O)=CC=C(Cl)C=1)=O
BRN 2048031
别名信息
- 中文别名 -
  • 4-氯-2-硝基苯酚
  • 2-硝基-4-氯苯酚
  • 邻硝基对氯苯酚
  • 4-氯-2-硝基酚
  • 对氯邻硝基苯酚
- 英文别名 -
  • 4-Chloro-2-nitrophenol
  • o-nitro-p-chorophenol
  • 2-nitro-4-chlorophenol
  • 2-NO2-4-Cl-phenol
  • 4-chloro-2-nitro-phenol
  • 5-chloro-2-hydroxynitrobenzene
  • p-chloronitrophenol
  • Phenol,4-chloro-2-nitro
  • 4-Chloro-6-nitrophenol
  • NSC 520345
  • p-Chloro-o-nitrophenol
  • AKOS000121398
  • FT-0618040
  • EINECS 201-927-5
  • W-100365
  • STL199170
  • MFCD00007113
  • NSC520345
  • InChI=1/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9
  • Phenol, 4-chloro-2-nitro-
  • EN300-21529
  • 2-Nitro-4-chlorophenol
  • 89-64-5
  • FS-4191
  • DTXSID4058996
  • AC-16758
  • BP-13325
  • AE-562/40191217
  • Chloro-2-nitrophenol, 4-
  • 4-Chlor-2-nitrophenol
  • AI3-28527
  • C0228
  • 4-CHLORO-2-NITROPHENOL
  • UNII-438LQ62WNH
  • Z104500910
  • 4-chloro-6-nitrophenol
  • 4-Chloro-2-nitrophenol, >=97.0%
  • Q27258630
  • P-CHLORO-O-NITROPHENOL
  • 438LQ62WNH
  • SCHEMBL305611
  • NSC-520345
  • 5-Chloro-2-hydroxynitrobenzene
  • 4-Chloro-2-nitrophenol (ACI)
物化性质
实验特性
LogP 2.47700
PSA 66.05000
折射率 1.5810 (estimate)
沸点 242.5°C at 760 mmHg
熔点 85-87 °C (lit.)
85-89 °C
闪点 100.4°C
溶解度 dioxane: soluble0.5g/5mL, clear, faintly yellow to yellow
颜色与性状 黄色粉末
密度 1.4914 (rough estimate)
计算特性
精确分子量 172.98800
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 1
同位素质量 172.988
重原子数量 11
复杂度 158
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)
互变异构体数量 4
表面电荷 0
拓扑分子极性表面积 66A^2
国际标准相关数据
EINECS 201-927-5
海关数据
海关编码 2908999090
海关数据

中国海关编码:

2908999090

概述:

2908999090 其他酚及酚醇的卤化等衍生物(包括其磺化、硝化或亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Selective mono-and dinitration of phenolic compounds by dinitrogen tetraoxide complexes of iron and copper nitrates as new nitration reagent
Zhang, Ji-chang; Shi, Wei-yun; Wang, Guo-xi, Henan Shifan Daxue Xuebao, 2003, 31(3), 61-65

合成路线:1 步

反应条件:
参考文献:
Nitration of Aromatic Compounds: A study of different nitrating systems with Bronsted acid-surfactant-catalyst (BASC) in water
Pawar, Balu V., Research Journal of Chemistry and Environment, 2022, 26(10), 101-107

合成路线:1 步

反应条件:
参考文献:
Functionalized SBA-15 and its Catalytic Applications in Selective Organic Transformations
Srinivas, Darbha; Saikia, Lakshi, Catalysis Surveys from Asia, 2008, 12(2), 114-130

合成路线:1 步

反应条件:
参考文献:
One-pot nitration of phenols under mild and heterogeneous conditions
Zolfigol, Mohammad Ali; Bagherzadeh, Mojtaba; Madrakian, Elahe; Ghaemi, Ezat; Taqian-Nasab, Abolfazl, Journal of Chemical Research, 2001, (4), 140-142

合成路线:1 步

反应条件:
参考文献:
Silica-Polyethyleneglycols/N2O4 Complexes as Heterogeneous Nitrating and Nitrosating Agents
Iranpoor, N.; Firouzabadi, H.; Heydari, R., Phosphorus, 2003, 178(5), 1027-1035

合成路线:1 步

反应条件:
参考文献:
Regiospecific Oxyhalogenation of Aromatics Over SBA-15-Supported Nanoparticle Group IV-VI Metal Oxides
Saikia, L.; Rajesh, M.; Srinivas, D.; Ratnasamy, P., Catalysis Letters, 2010, 137(3-4), 190-201

合成路线:1 步

反应条件:
参考文献:
Electrochemical reduction of 4-chloro-2-nitrophenol
Konarev, A. A., Russian Chemical Bulletin, 2023, 72(2), 500-506

合成路线:1 步

反应条件:
参考文献:
Highly efficient catalytic nitration of phenolic compounds by nitric acid with a recoverable and reusable Zr or Hf oxychloride complex and KSF
Shi, Min; Cui, Shi-Cong; Yin, Wan-Po, European Journal of Organic Chemistry, 2005, (11), 2379-2384

合成路线:1 步

反应条件:
参考文献:
Nitration of aromatic compounds by Zn(NO3)2.2N2O4 and its charcoal-supported system
Iranpoor, Nasser; Firouzabadi, Habib; Heydari, Reza; Shiri, Morteza, Synthetic Communications, 2005, 35(2), 263-270

合成路线:1 步

反应条件:
参考文献:
Potassium monoperoxysulfate
Crandall, Jack K., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2012, 1, 1-19

合成路线:1 步

反应条件:
参考文献:
PEG-N2O4: An efficient nitrating agent for the selective mono- and dinitration of phenols under mild conditions
Zolfigol, Mohammad Ali; Madrakian, Elaheh; Ghaemi, Ezat; Niknam, Khodabakhsh, Synthetic Communications, 2008, 38(19), 3366-3374

合成路线:1 步

反应条件:
参考文献:
Trichloroisocyanuric acid/NaNO2 as a novel heterogeneous system for the selective mononitration of phenols under mild conditions
Zolfigol, Mohammad Ali; Ghaemi, Ezat; Madrakian, Elaheh, Synlett, 2003, (2), 191-194

合成路线:1 步

反应条件:
参考文献:
Dinitrogen tetroxide complexes of iron and copper nitrates as new reagents for selective mono- and dinitration of phenolic compounds
Firouzabadi, H.; Iranpoor, N.; Zolfigol, M. A., Synthetic Communications, 1997, 27(19), 3301-3311

合成路线:1 步

反应条件:
参考文献:
A new method for nitration of phenolic compounds
Shi, Min; Cui, Shi-cong, Advanced Synthesis & Catalysis, 2003, 345(11), 1197-1202

合成路线:1 步

反应条件:
参考文献:
Nitration of Phenol and Substituted Phenols with Dilute Nitric Acid Using Phase-Transfer Catalysts
Joshi, Ashutosh V.; Baidoosi, Mubeen; Mukhopadhyay, Sudip; Sasson, Yoel, Organic Process Research & Development, 2003, 7(1), 95-97

合成路线:1 步

反应条件:
参考文献:
An efficient method for the nitration of phenols with NaNO2 in the presence of 3-methyl-1-sulfonic acid imidazolium chloride
Khazaei, A.; Zolfigol, M. A.; Moosavi-Zare, A. R.; Zare, A., Scientia Iranica, 2010, 17(1), 31-36

合成路线:1 步

反应条件:
参考文献:
Dichloroacetyl benzoxazine-type herbicide safener and synthesis method thereof
, China, , ,
相关文献
专业数据库参考
PubChemId 6980
参考资料
Reaxys RN 2048031
Beilstein 2048031
化合物详情(旧版)

SMILES

O=[N+]([O-])C1=C(O)C=CC(Cl)=C1

产品用途
染料中间体。
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