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

CAS: 6780-49-0 Cat. No.: E156427 Formule: C₉H₁₁NO Poids moléculaire: 149.19 Beilstein Registry Number: 12(4)371 Numéro CE: 229-841-3

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488187463

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187463

Sourires canoniques

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

Isomères SMILES

CCOC=NC1=CC=CC=C1

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Indice de réfraction: 1.5250 - 1.5290
• Point d'éclair (°F): 172.4 °F
• Point d'éclair (°C): 78 °C
• Point d'ébullition (°C): 215°C
• Poids moléculaire: 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

Foire aux questions

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.