1,3-Dimethoxy-2-nitrobenzene - ≥97% , CAS No.6665-97-0

CAS: 6665-97-0 Cat. No.: D185908 Fórmula: C₈H₉NO₄ Peso molecular: 183.2

CALIDAD & PUREZA ≥97%

Synonyms

2,6-Dimethoxynitrobenzene | AM61622 | 2-Nitroresorcindimethylaether | NSC 291284 | SY023632 | AKOS006228428 | 1,3-Dimethoxy-2-nitrobenzene | 1,3-Dimethoxy-2-nitro-benzene | SCHEMBL1961457 | 2,6-Dimethoxynitrobenzene 98% | DTXSID60315026 | MFCD00474587 | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

2,6-Dimethoxynitrobenzene | AM61622 | 2-Nitroresorcindimethylaether | NSC 291284 | SY023632 | AKOS006228428 | 1,3-Dimethoxy-2-nitrobenzene | 1,3-Dimethoxy-2-nitro-benzene | SCHEMBL1961457 | 2,6-Dimethoxynitrobenzene 98% | DTXSID60315026 | MFCD00474587 | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504758480

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758480

Sonrisas canónicas

COC1=C(C(=CC=C1)OC)[N+](=O)[O-]

IUPAC Name

1,3-dimethoxy-2-nitrobenzene

InChIKey

MVBXGGHFJZBKFJ-UHFFFAOYSA-N

INCHI

1S/C8H9NO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3

Isómeros SMILES

COC1=C(C(=CC=C1)OC)[N+](=O)[O-]

Peso molecular

183.2

Reaxy-Rn

2267584

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2267584&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 - M-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

• Peso molecular: 183.160 g/mol
• XLogP3: 1.300
• 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: 167.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6665-97-0, the molecular formula is C8H9NO4, and the molecular weight is 183.2 g/mol. InChIKey MVBXGGHFJZBKFJ-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.