5-Methylisoxazole - ≥95%(GC) , CAS No.5765-44-6

CAS: 5765-44-6 Cat. No.: M158646 Formula: C₄H₅NO Peso molecolare: 83.09 Beilstein Registry Number: 27,16 Numero EC: 227-289-8

GRADE & PURITY ≥95%(GC)

Synonyms

5-methyl-1,2-oxazole | BCP11243 | FT-0620661 | InChI=1/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H | NSC 52269 | AI3-34641 | 5-Methylisoxazole, AldrichCPR | STR04226 | F14932 | M0813 | C4H5NO | Isoxazole, 5-methyl- | NSC-1764 | W-105452 | EINECS 227-289-8 | NSC52269 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

5-methyl-1,2-oxazole | BCP11243 | FT-0620661 | InChI=1/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H | NSC 52269 | AI3-34641 | 5-Methylisoxazole, AldrichCPR | STR04226 | F14932 | M0813 | C4H5NO | Isoxazole, 5-methyl- | NSC-1764 | W-105452 | EINECS 227-289-8 | NSC52269 |

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

488185788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185788

Sorrisi canonici

CC1=CC=NO1

IUPAC Name

5-methyl-1,2-oxazole

InChIKey

AGQOIYCTCOEHGR-UHFFFAOYSA-N

INCHI

1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3

Isomeri SMILES

CC1=CC=NO1

Numero UN

1993

Gruppo di imballaggio

III

Peso molecolare

83.09

Beilstein

27,16

Reaxy-Rn

104680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104680&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 Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - 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: air sensitive
• Indice di rifrazione: 1.44
• Punto di infiammabilità (°C): 30°C
• Punto di ebollizione (°C): 122°C(lit.)
• Peso molecolare: 83.090 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0371 Da
• Monoisotopic Mass: 83.0371 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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, and how is it determined?

This product is supplied at ≥95% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5765-44-6, the molecular formula is C4H5NO, and the molecular weight is 83.09 g/mol. InChIKey AGQOIYCTCOEHGR-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.