Nitrofen - ≥98% , CAS No.1836-75-5

CAS: 1836-75-5 Cat. No.: N141413 Peso molecular: 284.09 Beilstein Registry Number: 1887356 Número EC: 217-406-0

GRADE & PURITY ≥98%

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

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752710
• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
• IUPAC Name: 2,4-dichloro-1-(4-nitrophenoxy)benzene
• InChIKey: XITQUSLLOSKDTB-UHFFFAOYSA-N
• 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
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
• WGK Alemania: 3
• RTECS: KN8400000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Chlorella salina (18 Activities)

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

Gossypium hirsutum (233 Activities)

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

PPOX1 Protoporphyrinogen oxidase 1, chloroplastic (10 Activities)

Discover Target: PPOX1

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 370°C
• Punto de fusión (°C): 69-72°C
• Peso molecular: 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

Referencias

1. Xiumin Yang, Junmin Wang, Guifen Chang, Cuihong Sun, Qiuhua Wu, Zhi Wang.  (2023)  Post-synthetic modification of covalent organic framework for efficient adsorption of organochlorine pesticides from cattle's milk.  FOOD CHEMISTRY,      [PMID:38100880] [10.1016/j.foodchem.2023.138182]

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).  [PMID:] [10.1002/slct.202202721]

3. Xiaohuan Zang, Qingyun Chang, Hongda Li, Xiaoxian Zhao, Shuaihua Zhang, Chun Wang, Zhi Wang.  (2022)  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,      [PMID:] [10.1016/j.seppur.2022.122350]

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.  (2021)  Pyrene-Based Fluorescent Porous Organic Polymers for Recognition and Detection of Pesticides.  MOLECULES,  27  (1): (126).  [PMID:35011357] [10.3390/molecules27010126]

5. Xue Li, Hao Liu, Yuan Lv, Wenqian Yu, Xiaomei Liu, Caixia Liu.  (2019)  MiR-130a-5p/Foxa2 axis modulates fetal lung development in congenital diaphragmatic hernia by activating the Shh/Gli1 signaling pathway.  LIFE SCIENCES,      [PMID:31843527] [10.1016/j.lfs.2019.117166]

6. Xue Li, Hao Liu, Wenqian Yu, Xiaomei Liu, Caixia Liu.  (2019)  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,      [PMID:31734580] [10.1016/j.biopha.2019.109621]

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).  [PMID:30488359] [10.1007/s00604-018-3103-0]

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,      [PMID:39052986] [10.1021/acsami.4c05208]

9. Kang Jiang, Linfang Lu, Jingwen Huang, Jiakun Hong, Yibai Che, Na Li, Xiaoli Li, Shaoze Wu, Zhoujie Xu, Wenjun Yang, Sumei Ling, Shihua Wang.  (2026)  Development of a lateral flow immunoassay for the on-site detection of Acifluorfen in agricultural products.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2026.117477]