Ethyl N-Phenylformimidate - ≥98%(GC) , CAS No.6780-49-0

CAS: 6780-49-0 Cat. No.: E156427 分子式: C₉H₁₁NO 分子量: 149.19 Beilstein Registry Number: 12(4)371 EC番号: 229-841-3

GRADE & PURITY ≥98%(GC)

Synonyms

Ethyl phenylimidoformate # | N-Phenylformimidic Acid Ethyl Ester | EINECS 229-841-3 | UNII-RB7GBA83WH | DRDBNKYFCOLNQO-CSKARUKUSA-N | AKOS015917282 | Ethylisoformanilide | rac-(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one | (E)-(ETHYL N-PHENYLCARBO

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

同義語

Ethyl phenylimidoformate # | N-Phenylformimidic Acid Ethyl Ester | EINECS 229-841-3 | UNII-RB7GBA83WH | DRDBNKYFCOLNQO-CSKARUKUSA-N | AKOS015917282 | Ethylisoformanilide | rac-(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one | (E)-(ETHYL N-PHENYLCARBO

仕様と純度

≥98%(GC)

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488187463
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488187463
• カノニカル・スマイル: CCOC=NC1=CC=CC=C1
• IUPAC Name: ethyl N-phenylmethanimidate
• InChIKey: DRDBNKYFCOLNQO-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3
• 異性体SMILES: CCOC=NC1=CC=CC=C1
• WGKドイツ: 3
• 分子量: 149.19
• Beilstein: 12(4)371
• Reaxy-Rn: 774418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774418&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

化学的性質と物理的性質

• 感度: Light sensitive
• 屈折率: 1.5250 - 1.5290
• 引火点（°F）: 172.4 °F
• 引火点（°C）: 78 °C
• 沸点（°C）: 215°C
• 分子量: 149.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• 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

よくある質問

How is this product shipped?

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

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 should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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

The CAS Number is 6780-49-0, the molecular formula is C9H11NO, and the molecular weight is 149.19 g/mol. InChIKey DRDBNKYFCOLNQO-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.