1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene - ≥98% , CAS No.314298-13-0

CAS: 314298-13-0 Cat. No.: F588690 Peso molecular: 185.15

GRADE & PURITY ≥98%

Synonyms

C74613 | FT-0712334 | BCP33113 | 1-fluoro-2-methyl-5-(methyloxy)-4-nitrobenzene | AS-68709 | 1-FLUORO-5-METHOXY-2-METHYL-4-NITROBENZENE | 1-fluoro-5-methoxy-2-methyl-4-nitro-benzene | SCHEMBL310694 | AKOS022172782 | JQNHPTUQNTUAJC-UHFFFAOYSA-N | 5-Fluoro-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

C74613 | FT-0712334 | BCP33113 | 1-fluoro-2-methyl-5-(methyloxy)-4-nitrobenzene | AS-68709 | 1-FLUORO-5-METHOXY-2-METHYL-4-NITROBENZENE | 1-fluoro-5-methoxy-2-methyl-4-nitro-benzene | SCHEMBL310694 | AKOS022172782 | JQNHPTUQNTUAJC-UHFFFAOYSA-N | 5-Fluoro-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1F)OC)[N+](=O)[O-]
• IUPAC Name: 1-fluoro-5-methoxy-2-methyl-4-nitrobenzene
• InChIKey: JQNHPTUQNTUAJC-UHFFFAOYSA-N
• INCHI: 1S/C8H8FNO3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1F)OC)[N+](=O)[O-]
• CAS alternativo: 314298-13-0
• Peso molecular: 185.15
• Reaxy-Rn: 9901590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9901590&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Methoxyanilines Nitrotoluenes Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Nitrotoluene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 185.150 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 185.049 Da
• Monoisotopic Mass: 185.049 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 194.000
• 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