2-Propyl-2-oxazoline - ≥98% , CAS No.4694-80-8

CAS: 4694-80-8 Cat. No.: P160311 Formula: C₆H₁₁NO Peso molecolare: 113.16 Numero EC: 225-156-9 PubChem CID: 78418

GRADE & PURITY ≥98%

Synonyms

2-n-propyl-2-oxazoline | P1739 | 2-Propyl-4,5-dihydro-oxazole | 7QLF7QC2Z7 | 2-OXAZOLINE, 2-PROPYL- | MFCD02684776 | NSC122378 | NSC-122378 | 2-propyl-4,5-dihydro-1,3-oxazole | Oxazole, 4,5-dihydro-2-propyl- | 4,5-Dihydro-2-propyloxazole | NSC 122378 | EI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

2-n-propyl-2-oxazoline | P1739 | 2-Propyl-4,5-dihydro-oxazole | 7QLF7QC2Z7 | 2-OXAZOLINE, 2-PROPYL- | MFCD02684776 | NSC122378 | NSC-122378 | 2-propyl-4,5-dihydro-1,3-oxazole | Oxazole, 4,5-dihydro-2-propyl- | 4,5-Dihydro-2-propyloxazole | NSC 122378 | EI

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

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

504755284

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755284

Sorrisi canonici

CCCC1=NCCO1

IUPAC Name

2-propyl-4,5-dihydro-1,3-oxazole

InChIKey

GXCJLVVUIVSLOQ-UHFFFAOYSA-N

INCHI

1S/C6H11NO/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3

Isomeri SMILES

CCCC1=NCCO1

PubChem CID

78418

Numero UN

1993

Gruppo di imballaggio

III

Peso molecolare

113.16

Reaxy-Rn

1071572

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolines
      • Subclass Oxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolines
• Subclass: Oxazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolines
• Alternative Parents: Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazoline - Imido ester - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
• 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: 1.44
• Punto di infiammabilità (°C): 36 °C
• Punto di ebollizione (°C): 147°C(lit.)
• Peso molecolare: 113.160 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 113.084 Da
• Monoisotopic Mass: 113.084 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.700
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4694-80-8, the molecular formula is C6H11NO, and the molecular weight is 113.16 g/mol. InChIKey GXCJLVVUIVSLOQ-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.