trans-3-Methoxy-β-nitrosytrene - ≥97% , CAS No.3179-09-7

CAS: 3179-09-7 Cat. No.: I169529 Formula: CH₃COC₆H₄CH=CHNO₂ Peso molecolare: 179.17

GRADE & PURITY ≥97%

Synonyms

trans-3-Methoxy-beta-nitrosytrene | 1-Methoxy-3-[(E)-2-nitrovinyl]benzene | Cambridge id 5102116 | Ethene,-1-(3-methoxyphenyl)-2-nitro- | Benzene, 1-methoxy-3-(2-nitroethenyl)-, (E)- | NSC93425 | NSC-93425 | m-Methoxy-.beta.-nitrostyrene | A923889 | 3-Met

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

trans-3-Methoxy-beta-nitrosytrene | 1-Methoxy-3-[(E)-2-nitrovinyl]benzene | Cambridge id 5102116 | Ethene,-1-(3-methoxyphenyl)-2-nitro- | Benzene, 1-methoxy-3-(2-nitroethenyl)-, (E)- | NSC93425 | NSC-93425 | m-Methoxy-.beta.-nitrostyrene | A923889 | 3-Met

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488191207

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191207

Sorrisi canonici

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

IUPAC Name

1-methoxy-3-[(E)-2-nitroethenyl]benzene

InChIKey

IJBGIPFDIABTKB-AATRIKPKSA-N

INCHI

1S/C9H9NO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3/b6-5+

Isomeri SMILES

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

Peso molecolare

179.17

Reaxy-Rn

2094211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Styrene - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - 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 - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 91-95 °C (lit.)
• Peso molecolare: 179.170 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.058 Da
• Monoisotopic Mass: 179.058 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3179-09-7, the molecular formula is C9H9NO3, and the molecular weight is 179.17 g/mol. InChIKey IJBGIPFDIABTKB-AATRIKPKSA-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.