2,2'-Bis(2-oxazoline) - ≥97% , CAS No.36697-72-0

CAS: 36697-72-0 Cat. No.: B152606 Summenformel: C₆H₈N₂O₂ Molekulargewicht: 140.14

GRADE & PURITY ≥97%

Synonyms

4,4',5,5'-tetrahydro-2,2'-bioxazole | B1226 | NSC137947 | NSC-137947 | MFCD00059930 | SCHEMBL351341 | 2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole | SY054058 | FT-0609162 | KKKKCPPTESQGQH-UHFFFAOYSA- | InChI=1/C6H8N2O2/c1-3-9-5(7-1)6-8-2-4-10-6

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

4,4',5,5'-tetrahydro-2,2'-bioxazole | B1226 | NSC137947 | NSC-137947 | MFCD00059930 | SCHEMBL351341 | 2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole | SY054058 | FT-0609162 | KKKKCPPTESQGQH-UHFFFAOYSA- | InChI=1/C6H8N2O2/c1-3-9-5(7-1)6-8-2-4-10-6

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508807543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508807543
• Kanonisches Lächeln: C1COC(=N1)C2=NCCO2
• IUPAC Name: 2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole
• InChIKey: KKKKCPPTESQGQH-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2/c1-3-9-5(7-1)6-8-2-4-10-6/h1-4H2
• Isomere SMILES: C1COC(=N1)C2=NCCO2
• Molekulargewicht: 140.14
• Reaxy-Rn: 4033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4033&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water; Soluble in Acetone,Methanol
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Schmelzpunkt (°C): 213 °C
• Molekulargewicht: 140.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 176.000
• 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