1-(2-Methoxyethoxy)-4-nitrobenzene - ≥98% , CAS No.22483-40-5

CAS: 22483-40-5 Cat. No.: M192159 Summenformel: C₉H₁₁NO₄ Molekulargewicht: 197.19

GRADE & PURITY ≥98%

Synonyms

A878529 | SCHEMBL116052 | 4-NITROPHENYL-2-METHOXYETHYL ETHER | DS-0966 | FT-0763053 | 4-(2-Methoxyethoxy)-1-nitrobenzene | 1-(2-Methoxyethoxy)-4-nitrobenzene # | DTXSID60338235 | 1-(2-Methoxyethoxy)-4-nitrobenzene | AKOS006241293 | Benzene, 1-(2-methoxyet

Storage

Raumtemperatur

Shipped In

Normal

Specifications

Synonyme

A878529 | SCHEMBL116052 | 4-NITROPHENYL-2-METHOXYETHYL ETHER | DS-0966 | FT-0763053 | 4-(2-Methoxyethoxy)-1-nitrobenzene | 1-(2-Methoxyethoxy)-4-nitrobenzene # | DTXSID60338235 | 1-(2-Methoxyethoxy)-4-nitrobenzene | AKOS006241293 | Benzene, 1-(2-methoxyet

Spezifikationen & Reinheit

≥98%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488190239

Kanonisches Lächeln

COCCOC1=CC=C(C=C1)[N+](=O)[O-]

IUPAC Name

1-(2-methoxyethoxy)-4-nitrobenzene

InChIKey

AMSIAIRQIAPAPM-UHFFFAOYSA-N

INCHI

1S/C9H11NO4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3

Isomere SMILES

COCCOC1=CC=C(C=C1)[N+](=O)[O-]

Molekulargewicht

197.19

Reaxy-Rn

2098553

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2098553&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 Dialkyl ethers 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 - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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

• Molekulargewicht: 197.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.069 Da
• Monoisotopic Mass: 197.069 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 172.000
• 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