4-Methoxycinnamonitrile (cis- and trans- mixture) - ≥98%(GC) , CAS No.28446-68-6

CAS: 28446-68-6 Cat. No.: M158789 Summenformel: C₁₀H₉NO Molekulargewicht: 159.19 EG-Nummer: 249-022-4

GRADE & PURITY ≥98%(GC)

Synonyms

beta-(4-Methoxyphenyl)acrylonitrile | CNBCNHHPIBKYBO-NSCUHMNNSA-N | NSC 379284 | 4-Methoxycinnamonitrile | 3-(4-methoxyphenyl)acrylonitrile | STL308391 | (E)-4-Methoxycinnamonitrile | 2-Propenenitrile, 3-(4-methoxyphenyl)-, (2E)- | 3-(4-Methoxyphenyl)-2-p

Storage

Room temperature

Shipped In

Normal

Übersicht

4-Methoxycinnamonitrile shows potent nematicidal activity toward adult Bursaphelenchus xylophilus. Surface-enhanced Raman scattering of cis- and trans-4-methoxycinnamonitrile has been studied in aqueous silver sols.

Specifications

Synonyme

beta-(4-Methoxyphenyl)acrylonitrile | CNBCNHHPIBKYBO-NSCUHMNNSA-N | NSC 379284 | 4-Methoxycinnamonitrile | 3-(4-methoxyphenyl)acrylonitrile | STL308391 | (E)-4-Methoxycinnamonitrile | 2-Propenenitrile, 3-(4-methoxyphenyl)-, (2E)- | 3-(4-Methoxyphenyl)-2-p

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488191957
• Kanonisches Lächeln: COC1=CC=C(C=C1)C=CC#N
• IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enenitrile
• InChIKey: CNBCNHHPIBKYBO-NSCUHMNNSA-N
• INCHI: 1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3/b3-2+
• Isomere SMILES: COC1=CC=C(C=C1)/C=C/C#N
• WGK Deutschland: 3
• RTECS: GE1459320
• Molekulargewicht: 159.19
• Reaxy-Rn: 2206961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206961&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.613
• Flammpunkt (°F): 230°F
• Flammpunkt (°C): >110°C
• Siedepunkt (°C): 127-140 °C/1 mmHg
• Schmelzpunkt (°C): 50-55°C
• Molekulargewicht: 159.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 193.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 28446-68-6, the molecular formula is C10H9NO, and the molecular weight is 159.19 g/mol. InChIKey CNBCNHHPIBKYBO-NSCUHMNNSA-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.