1,2-Dimethoxy-4-nitrobenzene - ≥99%(GC) , CAS No.709-09-1

CAS: 709-09-1 Cat. No.: D155507 Fórmula: C₈H₉NO₄ Peso molecular: 183.16 Beilstein Registry Number: 6789 Número EC: 211-906-2

GRADE & PURITY ≥99%(GC)

Synonyms

EINECS 211-906-2 | NSC 10116 | 4-Nitrcveratrole | 3,4-Dimethoxy-1-nitrobenzene | AS-58398 | 3,4-dimethoxy nitrobenzene | 3,4-dimethoxylnitrobenzene | 4-Nitroveratrole | 4-Nitro-veratrole | D1488 | MFCD00007238 | NSC10116 | NSC-10116 | W-104540 | A9319 | N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 211-906-2 | NSC 10116 | 4-Nitrcveratrole | 3,4-Dimethoxy-1-nitrobenzene | AS-58398 | 3,4-dimethoxy nitrobenzene | 3,4-dimethoxylnitrobenzene | 4-Nitroveratrole | 4-Nitro-veratrole | D1488 | MFCD00007238 | NSC10116 | NSC-10116 | W-104540 | A9319 | N

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 504754435
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754435
• Sonrisas canónicas: COC1=C(C=C(C=C1)[N+](=O)[O-])OC
• IUPAC Name: 1,2-dimethoxy-4-nitrobenzene
• InChIKey: YFWBUVZWCBFSQN-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
• Isómeros SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])OC
• Peso molecular: 183.16
• Beilstein: 6789
• Reaxy-Rn: 1878614
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1878614&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: Dimethoxybenzenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Anisoles 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 - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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

• Punto de ebullición (°C): 230 °C/20 mmHg
• Punto de fusión (°C): 97 °C
• Peso molecular: 183.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.053 Da
• Monoisotopic Mass: 183.053 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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