Dodecyl 2-nitrophenyl ether - ≥97% , CAS No.83027-71-8

CAS: 83027-71-8 Cat. No.: D343880 Formule: C₁₈H₂₉NO₃ Poids moléculaire: 307.43

GRADE & PURITY ≥97%

Synonyms

MFCD00024221 | 1-dodecoxy-2-nitrobenzene | AKOS024319104 | o-nitrophenyl dodecyl ether | Dodecyl 2-nitrophenyl ether, Selectophore(TM), >=99.0% | AS-75567 | SCHEMBL2304857 | ETH 217 | 1-(Dodecyloxy)-2-nitrobenzene # | 1-(Dodecyloxy)-2-nitrobenzene | Dodec

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Plasticizer for solvent polymeric membranes in ion-selective electrodes (1), (2)

Specifications

Synonymes

MFCD00024221 | 1-dodecoxy-2-nitrobenzene | AKOS024319104 | o-nitrophenyl dodecyl ether | Dodecyl 2-nitrophenyl ether, Selectophore(TM), >=99.0% | AS-75567 | SCHEMBL2304857 | ETH 217 | 1-(Dodecyloxy)-2-nitrobenzene # | 1-(Dodecyloxy)-2-nitrobenzene | Dodec

Spécifications et pureté

≥97%

Application

It was used to enhance extraction of nonpolar drugs during a study to demonstrate different approaches of basic drugs to maximize extraction recovery using electro membrane extraction method.

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528770224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770224

Sourires canoniques

CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

IUPAC Name

1-dodecoxy-2-nitrobenzene

InChIKey

DXCTUMLYTQODSP-UHFFFAOYSA-N

INCHI

1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16-22-18-15-12-11-14-17(18)19(20)21/h11-12,14-15H,2-10,13,16H2,1H3

Isomères SMILES

CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

Poids moléculaire

307.43

Reaxy-Rn

3350321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3350321&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Rotation spécifique [α]: n20/D 1.503
• Point d'ébullition (°C): 218° C at 1.5 mmHg
• Poids moléculaire: 307.400 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 307.215 Da
• Monoisotopic Mass: 307.215 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 278.000
• 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