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

CAS: 37682-29-4 Cat. No.: N113595 分子式: C₁₄H₂₁NO₃ 分子量: 251.32 Beilstein Registry Number: 2529905 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488188433

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188433

カノニカル・スマイル

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

異性体SMILES

CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

WGKドイツ

3

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive
• 屈折率: 1.5075-1.5115
• 引火点（°F）: 43 °C
• 引火点（°C）: 43°C
• 沸点（°C）: 198°C/11.3mmHg
• 分子量: 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

よくある質問

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.