2-氟硝基苯 | 1493-27-2
中文名称:
2-氟硝基苯
英文名称:
1-Fluoro-2-nitrobenzene
CAS No.:
1493-27-2
分子式:
C6 H4 FNO2
分子量:
141.0999
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-氟硝基苯结构式
名称和标识符
MDL
MFCD00007048
InChIKey
PWKNBLFSJAVFAB-UHFFFAOYSA-N
Inchi
1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
SMILES
FC1=C([H])C([H])=C([H])C([H])=C1[N+](=O)[O-]
BRN
607262
别名信息
- 中文别名 -
2-氟硝基苯
邻氟硝基苯
1-氟-2-硝基苯
鄰氟硝苯
1-氟-2-硝基苯(易制爆)
1-氟-2-硝基苯,1-Fluoro-2-nitrobenzene
2-Fluoronitrobenzene 2-氟硝基苯
奥氮平杂质
奥氮平杂质2
2-硝基氟苯
邻氟硝苯
邻氟硝基苯,2-氟硝基苯
2-氟硝基苯(邻氟硝基苯)
邻氟硝基苯/2-氟硝基苯
1-氟-2-硝基苯,99%
- 英文别名 -
1-Fluoro-2-nitrobenzene
Fluoronitrobenzene1
Fluoronitrobenzenecolorlessliq
2-Fluoronitrobenzene
O-NITROFLUOROBENZENE
O-FLUORONITROBENZENE
1-fluoro-2-nitro-benzen
Benzene, o-nitrofluoro-
2-NITROFLUOROBENZENE
1-fluro-2-nitrobenzene
2-fluoro-1-nitrobenzene
Benzene,1-fluoro-2-nitro
Benzene,o-nitrofluoro
ortho-fluoro-nitrobenzene
ortho-nitrofluorobenzene
1-Fluoro-2-nitrobenz
2-flouromitrobrnzene
o-fluoronitorobenzene
Olanzapine Impurity 2
Benzene, 1-fluoro-2-nitro-
Fluoronitrobenzene
1-Fluoro-2-nitro-benzene
Benzene, fluoronitro-
O-FLUORNITROBENZENE
ORTHO FLUORO NITROBENZENE
PWKNBLFSJAVFAB-UHFFFAOYSA-N
nitrofluorobenzene
2fluoronitrobenzene
2-fluoronitrobenzen
1-fluoronitrobenzene
o-fluo
o-Fluoronitrobenzene
1-FLUORO-2-NITROBENZENE
1-fluoro-2-nitrobenzene
o-fluronitrobenzene
2-fluoro-nitro-benzene
o-fluoro-nitrobenzene
BP-20685
ortho-fluoronitrobenzene
Z104477992
1-fluoro-2-nitro benzene
CS-W008586
l-fluoro-2-nitrobenzene
EN300-20388
2-Nitrofluorobenzene
Q63398793
NSC 51869
2-nitro-1-fluorobenzene
2-fluoro nitrobenzene
2-Fluoro-nitrobenzene
DTXSID1061730
NSC51869
o-fluoronitro-benzene
EINECS 216-088-0
FT-0612442
9WUK5DS6YX
A856862
1-fluor-2-nitrobenzol
AS-11953
SCHEMBL5828
2-nitro-fluorobenzene
F0104
1-Flouro-2-nitrobenzene
2-nitro fluorobenzene
W-108088
1493-27-2
127723-77-7
NS00001700
1-fluor-2-nitrobenzene
o-Nitrofluorobenzene
DisodiumTerephthalate
CHEMBL49252
EC 216-088-0
InChI=1/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4
1-Fluoro-2-nitrobenzene, 99%
AKOS000120023
A808881
2-fluoro-1-nitro-benzene
1-Fluoro-nitrobenzene
NSC-51869
Benzene, 1-fluoro-2-nitro-, labeled with carbon-14 (9CI)
F0001-0531
AM20030017
MFCD00007048
SCHEMBL16474073
物化性质
实验特性
LogP
2.25710
PSA
45.82000
折射率
n20/D 1.532(lit.)
水溶性
不溶
沸点
222°C(lit.)
熔点
−9-−6 °C (lit.)
蒸气压
0.1±0.4 mmHg at 25°C
闪点
华氏:201.2 °F 摄氏:94 °C
颜色与性状
黄色液体。
溶解性
不溶于水。
密度
1.338 g/mL at 25 °C(lit.)
计算特性
精确分子量
141.02300
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
0
同位素质量
141.023
重原子数量
10
复杂度
134
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)
1.7
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
45.8
海关数据
海关编码
29049085
海关数据
中国海关编码:
2904909090
概述:
2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 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:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
相关文献
1.
One-pot synthesis of pyrrolo[1,2-a]quinoxalines
Aiping Huang,Feng Liu,Chunjing Zhan,Yanli Liu,Chen Ma Org. Biomol. Chem. 2011 9 7351
2.
Aromatic nucleophilic replacement. Part XIV. The mode of transmission of the inductive effect in the benzene ring and the relative activating power of the +NMe2O–, +NMe3, and NO2 groups in aromatic nucleophilic replacement reactions
C. W. L. Bevan,T. A. Emokpae,J. Hirst J. Chem. Soc. B 1968 238
3.
Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies
Mahnaz Aryaeifar,Hadi Amiri Rudbari,Olivier Blacque,Mohammad Khairul Islam,Rosario Scopelliti,Jason D. Braun,David E. Herbert,Giuseppe Bruno,Christoph Janiak,Mohammed Enamullah CrystEngComm 2021 23 6322
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Portrayal of the color polymorphism in the 5-acetyl-derivative of ROY
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5.
Specific nucleophile–electrophile interactions in nucleophilic aromatic substitutions
Rodrigo Ormazábal-Toledo,Renato Contreras,Ricardo A. Tapia,Paola R. Campodónico Org. Biomol. Chem. 2013 11 2302
6.
The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides
Ibon Alkorta,Fernando P. Cossío,José Elguero,Nieves Fresno,Laura Hernandez-Folgado,Santiago García-Granda,Laura Menéndez-Taboada,Ruth Pérez-Fernández,Felipe Reviriego,Lucia Vázquez-Vi?uela New J. Chem. 2013 37 2384
7.
604. The so-called “ 1-fluoro-3: 4-dinitrobenzene.”
H. Suschitzky J. Chem. Soc. 1953 3042
8.
131. Nucleophilic displacement of fluorine from aromatic compounds. Part I
C. W. L. Bevan J. Chem. Soc. 1953 655
9.
131. Nucleophilic displacement of fluorine from aromatic compounds. Part I
C. W. L. Bevan J. Chem. Soc. 1953 655
10.
Palladium-catalyzed cross-coupling of aryl fluorides with N-tosylhydrazones via C–F bond activation
Haiqing Luo,Guojiao Wu,Shuai Xu,Kang Wang,Chaoqiang Wu,Yan Zhang,Jianbo Wang Chem. Commun. 2015 51 13321
参考资料
Reaxys RN
607262
Beilstein
5,241
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