Ethyl 3,5-dimethylisoxazole-4-carboxylate - ≥97% , CAS No.17147-42-1

CAS: 17147-42-1 Cat. No.: E138363 Formula: C₈H₁₁NO₃ Peso molecolare: 169.18

GRADE & PURITY ≥97%

Synonyms

8K-591S | HMS1732J05 | 4-carboethoxy-3,5-dimethylisoxazole | 4-carboethoxy-3,5-dimethyl-isoxazole | EN300-16191 | AKOS001079490 | J-520831 | BB 0258843 | BBL039653 | Ethyl 3,5-Dimethyl-isoxazole-4-carboxylate | ethyl 3,5-dimethylisoxazole-4-carboxylate |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

8K-591S | HMS1732J05 | 4-carboethoxy-3,5-dimethylisoxazole | 4-carboethoxy-3,5-dimethyl-isoxazole | EN300-16191 | AKOS001079490 | J-520831 | BB 0258843 | BBL039653 | Ethyl 3,5-Dimethyl-isoxazole-4-carboxylate | ethyl 3,5-dimethylisoxazole-4-carboxylate |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CCOC(=O)C1=C(ON=C1C)C
• IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
• InChIKey: OQRHVDXUJAQVNT-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
• Isomeri SMILES: CCOC(=O)C1=C(ON=C1C)C
• Peso molecolare: 169.18
• Reaxy-Rn: 123720
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123720&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Isoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Isoxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazoles
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Isoxazole - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°C): 97 °C
• Punto di ebollizione (°C): 220 °C
• Peso molecolare: 169.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.074 Da
• Monoisotopic Mass: 169.074 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 17147-42-1, the molecular formula is C8H11NO3, and the molecular weight is 169.18 g/mol. InChIKey OQRHVDXUJAQVNT-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.