2-Nitrophenyl octyl ether - ≥98% , CAS No.37682-29-4

CAS: 37682-29-4 Cat. No.: N113595 Summenformel: C₁₄H₂₁NO₃ Molekulargewicht: 251.32 Beilstein Registry Number: 2529905 EG-Nummer: 253-623-7

GRADE & PURITY ≥98%

Synonyms

1-Nitro-2-(octyloxy)benzene | FT-0613207 | D92251 | 2-(Octyloxy)nitrobenzene | STL554631 | 4NSH6FFF2H | 1-(2-nitrophenoxy)octane | DTXSID10927092 | Q7031552 | 1-Nitro-2-(n-octyloxy)benzene | W-106520 | 1-Nitro-2-octyloxybenzene | 2-Nitrophenyl octyl ether

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

Matrix for FABMS and liquid SIMS

2-Nitrophenyl octyl ether (NPOE) is an organic solvent, which is mainly used as a plasticizer and a charge transferring liquid that can be used in electrochemical devices. Its water solubility is low and has a high molar volume with a relative permittivity of 24.2.

Specifications

Synonyme

1-Nitro-2-(octyloxy)benzene | FT-0613207 | D92251 | 2-(Octyloxy)nitrobenzene | STL554631 | 4NSH6FFF2H | 1-(2-nitrophenoxy)octane | DTXSID10927092 | Q7031552 | 1-Nitro-2-(n-octyloxy)benzene | W-106520 | 1-Nitro-2-octyloxybenzene | 2-Nitrophenyl octyl ether

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488188433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188433
• Kanonisches Lächeln: CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
• IUPAC Name: 1-nitro-2-octoxybenzene
• InChIKey: CXVOIIMJZFREMM-UHFFFAOYSA-N
• INCHI: 1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3
• Isomere SMILES: CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
• WGK Deutschland: 3
• Molekulargewicht: 251.32
• Beilstein: 2529905
• Reaxy-Rn: 2529905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2529905&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Brechungsindex: 1.5075-1.5115
• Flammpunkt (°F): 43 °C
• Flammpunkt (°C): 43°C
• Siedepunkt (°C): 198°C/11.3mmHg
• Molekulargewicht: 251.320 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 251.152 Da
• Monoisotopic Mass: 251.152 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 228.000
• 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

Referenzen

1. Libin Wan, Haidong Gao, Xiao Liu, Shucai Gao, Li Zhou, Fayun Wang, Mantang Chen.  (2022)  Electromembrane extraction of clenbuterol from swine urine for monitoring illegal use in livestock.  JOURNAL OF SEPARATION SCIENCE,  45  (21): (3966-3973).  [PMID:36040857] [10.1002/jssc.202200469]

2. Zicao Peng, Riping Liu, Zhiguang Xu, Huanjie Chi, Zhong Wang, Yan Zhao.  (2022)  Directional sweat transport window based on hydrophobic/hydrophilic Janus fabric enables continuous transfer and monitoring of sweat.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2022.101623]

3. Hu Rong, Yan Yibo, Jiang Long, Huang Chuixiu, Shen Xiantao.  (2022)  Determination of total cathinones with a single molecularly imprinted fluorescent sensor assisted by electromembrane microextraction.  MICROCHIMICA ACTA,  189  (9): (1-12).  [PMID:35939150] [10.1007/s00604-022-05405-3]

4. Haidong Gao, Mantang Chen, Huoliang Gao, Shucai Gao, Xiao Liu, Rui Du, Fayun Wang, Yong Wang, Libin Wan.  (2022)  Determination of ractopamine residue in animal derived foods using electromembrane extraction followed by liquid chromatography tandem mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35660317] [10.1016/j.chroma.2022.463179]

5. Qianqian Shang, Huajing Liu, Hang Mei, Chuixiu Huang, Xiantao Shen.  (2022)  Multi-extraction system with identical supported semi-liquid membrane: Enhanced stability for coextraction of acidic and basic drugs.  TALANTA,      [PMID:35462249] [10.1016/j.talanta.2022.123485]

6. Bin Lin, Huajing Liu, Chuixiu Huang, Xianjin Xiao, Stig Pedersen-Bjergaard, Xiantao Shen.  (2021)  Versatile Integration of Liquid-Phase Microextraction and Fluorescent Aptamer Beacons: A Synergistic Effect for Bioanalysis.  ANALYTICAL CHEMISTRY,      [PMID:34648282] [10.1021/acs.analchem.1c03600]

7. Libin Wan, Haidong Gao, Huoliang Gao, Rui Du, Fayun Wang, Yong Wang, Mantang Chen.  (2021)  Selective extraction and determination of steroidal glycoalkaloids in potato tissues by electromembrane extraction combined with LC-MS/MS.  FOOD CHEMISTRY,      [PMID:34352691] [10.1016/j.foodchem.2021.130724]

8. Xiao Yu, Xinlin Li, Sunzhao You, Yuhang Shi, Ruiqin Zhu, Ying Dong, Chuixiu Huang.  (2020)  Electromembrane extraction of chlorprothixene, haloperidol and risperidone from whole blood and urine.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32827905] [10.1016/j.chroma.2020.461480]

9. Yibo Yan, Chuixiu Huang, Xiantao Shen.  (2019)  Electromembrane extraction of aristolochic acids: New insights in separation of bioactive ingredients of traditional Chinese medicines.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31416626] [10.1016/j.chroma.2019.460424]

10. Libin Wan, Bin Lin, Ruiqin Zhu, Chuixiu Huang, Stig Pedersen-Bjergaard, Xiantao Shen.  (2019)  Liquid-Phase Microextraction or Electromembrane Extraction?.  ANALYTICAL CHEMISTRY,      [PMID:31141346] [10.1021/acs.analchem.9b00946]

11. Bin Lin, Libin Wan, Xiaojie Sun, Chuixiu Huang, Stig Pedersen-Bjergaard, Xiantao Shen.  (2018)  Electromembrane extraction of high level substances: A novel approach for selective recovery of templates in molecular imprinting.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2018.09.056]

12. Chenglin Li, Sixing Chen, Chuan Liu, Hui-Jiuan Chen, Songjia Han.  (2025)  A Flexible Multi-Ion Detection System Based on Organic Electrochemical Transistors for Physiological Monitoring.  Electronics,  14  (5): (1023).  [PMID:] [10.3390/electronics14051023]

13. Junling He, Yong Tang, Chiliang Lin, Shaoyun Peng, Stig Pedersen-Bjergaard, Frederik André Hansen, Chen Zhou.  (2024)  Electromembrane extraction of multi-class prohibited/restricted veterinary drugs from food samples – Exploring liquid membrane composition.  FOOD CHEMISTRY,      [PMID:39733624] [10.1016/j.foodchem.2024.142680]

14. Mantang Chen, Linping Shi, Fuwei Xie, Xiaoyu Wang, Cong Nie, Sheng Wang, Kejian Liu, Jingjing Yu, Libin Wan.  (2025)  Flat membrane–based liquid-phase microextraction for the determination of basic and acidic pesticide residues in water samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39793448] [10.1016/j.chroma.2025.465659]

15. Lidan Yan, Yang Zhang, Zhibiao Zhu, Yuqi Liang, Mengmeng Xiao.  (2025)  Robust Carbon Nanotube Transistor Ion Sensors with Near-Nernstian Sensitivity for Multi-Ion Detection in Neurological Diseases.  Nanomaterials,  15  (6): (447).  [PMID:40137620] [10.3390/nano15060447]

16. Wang Youwei, Wang Xiushan, Xu Huan, Wu Ang, Chen Ying, Li Guiqiang, Dong Chuanxin, Li Yahui, Mei Chao, Li Shuailin, Zhang Hehu.  (2024)  Self-plasticized Ca2+-selective electrode with polyaniline and copolymer of aniline and 2,5-dimethoxyaniline as solid contact layers.  JOURNAL OF MATERIALS SCIENCE,  59  (34): (16129-16140).  [PMID:] [10.1007/s10853-024-10166-w]

17. Qianqian Shang, Yangyang Liu, Menghan Hou, Zhuangzhuang Dong, Stig Pedersen-Bjergaard, Chuixiu Huang, Xiantao Shen.  (2025)  Automated Formation of Supported Liquid Membranes by Molecular Self-Assembly: A Step Forward for Liquid-Phase Microextraction.  ANALYTICAL CHEMISTRY,      [PMID:41166073] [10.1021/acs.analchem.5c05134]

18. Tongfei Gao, Zhuangzhuang Dong, Jianhua Xiong, Hongxia Hao, Xiantao Shen, Wenge Tang, Zhen Tong, Chuixiu Huang.  (2026)  Liquid-Phase Microextraction Assisted Surface-Enhanced Raman Spectroscopy: On-site Quantification of Amphetamine-Type Stimulants in Complex Samples from Crime Scenes.  ANALYTICA CHIMICA ACTA,      [PMID:41997682] [10.1016/j.aca.2026.345427]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 37682-29-4, the molecular formula is C14H21NO3, and the molecular weight is 251.32 g/mol. InChIKey CXVOIIMJZFREMM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.