1,4-Dimethoxy-2-(2-Nitro-1-Propen-1-Yl)-Benzene - ≥97% , CAS No.18790-57-3

CAS: 18790-57-3 Cat. No.: D132686 Peso molecular: 223.231

GRADE & PURITY ≥97%

Synonyms

18790-57-3|Benzene, 1,4-dimethoxy-2-(2-nitro-1-propenyl)-|1,4-Dimethoxy-2-(2-nitropropenyl)benzene|Benzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-|1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene|2,5-Dimethoxy-beta-methyl-beta-nitrostyrene|EINECS 242-573-1|N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

18790-57-3 | Benzene, 1, 4-dimethoxy-2-(2-nitro-1-propenyl)- | 1, 4-Dimethoxy-2-(2-nitropropenyl)benzene | Benzene, 1, 4-dimethoxy-2-(2-nitro-1-propen-1-yl)- | 1, 4-dimethoxy-2-(2-nitroprop-1-enyl)benzene | 2, 5-Dimethoxy-beta-methyl-beta-nitrostyrene | EINECS 242-573-1 | N

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186369
• Sonrisas canónicas: CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]
• IUPAC Name: 1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene
• InChIKey: MQFREHNTGKNSRH-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3
• Isómeros SMILES: CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]
• Peso molecular: 223.231
• Reaxy-Rn: 1462041
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1462041&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: 223.220 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.084 Da
• Monoisotopic Mass: 223.084 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1