Ethyl oxazole-5-carboxylate - ≥98% , CAS No.118994-89-1

CAS: 118994-89-1 Cat. No.: E586533 Formula: C₆H₇NO₃ Peso molecolare: 141.13 Numero EC: 640-210-5

QUALITÀ & PUREZZA ≥98%

Synonyms

MFCD04114930 | OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER | A2468 | KRMORCCAHXFIHF-UHFFFAOYSA-N | AB19292 | PS-4900 | DTXSID30449963 | 5-Oxazolecarboxylicacid,ethyl ester | Ethyl 1,3-oxazole-5-carboxylate | W-205029 | SCHEMBL414791 | AM20080129 | AKOS012536499

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifiche

Sinonimi

MFCD04114930 | OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER | A2468 | KRMORCCAHXFIHF-UHFFFAOYSA-N | AB19292 | PS-4900 | DTXSID30449963 | 5-Oxazolecarboxylicacid,ethyl ester | Ethyl 1,3-oxazole-5-carboxylate | W-205029 | SCHEMBL414791 | AM20080129 | AKOS012536499

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504765799

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765799

Sorrisi canonici

CCOC(=O)C1=CN=CO1

IUPAC Name

ethyl 1,3-oxazole-5-carboxylate

InChIKey

KRMORCCAHXFIHF-UHFFFAOYSA-N

INCHI

1S/C6H7NO3/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3

Isomeri SMILES

CCOC(=O)C1=CN=CO1

WGK Germania

3

CAS alternativo

118994-89-1

Peso molecolare

141.13

Reaxy-Rn

8308416

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8308416&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazoles
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Oxazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxazoles. These are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• 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

• Solubilità: Soluble in water (35 g/L at 25°C).
• Punto di infiammabilità (°F): 174.2 °F
• Punto di infiammabilità (°C): 79 °C
• Peso molecolare: 141.120 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 141.043 Da
• Monoisotopic Mass: 141.043 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 118994-89-1, the molecular formula is C6H7NO3, and the molecular weight is 141.13 g/mol. InChIKey KRMORCCAHXFIHF-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.