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Nitrofen solution - analytical standard,100ug/ml in petroleum ether, high purity , CAS No.1836-75-5
Basic Description
Synonyms
NCGC00259987-01 | CCRIS 444 | 2,4-Dechlorophenylp-nitrophenylether | 2,4-Dichlorophenyl p-nitrophenyl ether | Niclofen | Nitraphen | Nitrofen [BSI:ISO] | Nitrofen, technical-grade | 4-(2,4-Dichlorophenoxy)nitrobenzene | 4-Nitro-2',4'-dichlorophenyl ether
Specifications & Purity
analytical standard, 100ug/ml in petroleum ether
Storage Temp
Room temperature,Desiccated
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylether - Diaryl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - 1,3-dichlorobenzene - Phenol ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,4-dichloro-1-(4-nitrophenoxy)benzene
INCHI
InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
InChIKey
XITQUSLLOSKDTB-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
Isomeric SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
WGK Germany
3
RTECS
KN8400000
UN Number
3077
Packing Group
III
Molecular Weight
284.09
Beilstein
1887356
Reaxy-Rn
1887356
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1887356&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
370°C
Melt Point(°C)
69-72°C
Molecular Weight
284.090 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
282.98 Da
Monoisotopic Mass
282.98 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
290.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Xiumin Yang, Junmin Wang, Guifen Chang, Cuihong Sun, Qiuhua Wu, Zhi Wang.
(2024)
Post-synthetic modification of covalent organic framework for efficient adsorption of organochlorine pesticides from cattle's milk. FOOD CHEMISTRY,
439
(138182).
2.
Jiale Lin, Yongfa Cheng, Oi-Ming La,i, Chin-Ping Tan, Worawan Panpipat, Cai Shen, Ling-Zhi Cheong.
(2022)
Biomimetic Mineralization of Metal Ion-Doped Lipase into ZIF-8 Framework for Enhanced Hydrolytic Activity in Biphasic System. ChemistrySelect,
7
(38):
(e202202721).
3.
Xiaohuan Zang, Qingyun Chang, Hongda Li, Xiaoxian Zhao, Shuaihua Zhang, Chun Wang, Zhi Wang.
(2023)
Construction of a ringent multi-shelled hollow MIL-88B as the solid-phase microextraction fiber coating for the extraction of organochlorine pesticides. SEPARATION AND PURIFICATION TECHNOLOGY,
304
(122350).
4.
Zhuojun Yan, Jinni Liu, Congke Miao, Pinjie Su, Guiyue Zheng, Bo Cui, Tongfei Geng, Jiating Fan, Zhiyi Yu, Naishun Bu, Ye Yuan, Lixin Xia.
(2022)
Pyrene-Based Fluorescent Porous Organic Polymers for Recognition and Detection of Pesticides. MOLECULES,
27
(1):
(126).
5.
Xue Li, Hao Liu, Yuan Lv, Wenqian Yu, Xiaomei Liu, Caixia Liu.
(2020)
MiR-130a-5p/Foxa2 axis modulates fetal lung development in congenital diaphragmatic hernia by activating the Shh/Gli1 signaling pathway. LIFE SCIENCES,
241
(117166).
6.
Xue Li, Hao Liu, Wenqian Yu, Xiaomei Liu, Caixia Liu.
(2020)
Tandem mass tag (TMT) proteomic analysis of fetal lungs revealed differential expression of tight junction proteins in a rat model of congenital diaphragmatic hernia. BIOMEDICINE & PHARMACOTHERAPY,
121
(109621).
7.
Pang Yachao, Zang Xiaohuan, Wang Mengting, Chang Qingyun, Zhang Shuaihua, Wang Chun, Wang Zhi.
(2018)
Fibrous boron nitride nanocomposite for magnetic solid phase extraction of ten pesticides prior to the quantitation by gas chromatography. MICROCHIMICA ACTA,
185
(12):
(1-7).
8.
Jiale Lin, Cai Shen, Yongfa Cheng, Oi-Ming Lai, Chin-Ping Tan, Worawan Panpipat, Ling-Zhi Cheong.
(2024)
Thermo-Switchable Enzyme@Metal–Organic Framework for Selective Biocatalysis and Biosensing. ACS Applied Materials & Interfaces,
16
(31):
(40836-40847).
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8 Citations
J1811046