1,3-Bis(4,5-dihydro-2-oxazolyl)benzene - ≥98% , CAS No.34052-90-9

CAS: 34052-90-9 Cat. No.: B152626 Peso molecular: 216.24 Número EC: 421-510-3

GRADE & PURITY ≥98%

Synonyms

AKOS024438239 | FT-0606563 | SY039334 | AMY10792 | 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene | 2,2'-(1,3-Phenylene)bis-2-oxazoline | HMOZDINWBHMBSQ-UHFFFAOYSA- | MFCD00191606 | AS-15426 | 2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole | 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS024438239 | FT-0606563 | SY039334 | AMY10792 | 1, 3-Bis(4, 5-dihydro-2-oxazolyl)benzene | 2, 2'-(1, 3-Phenylene)bis-2-oxazoline | HMOZDINWBHMBSQ-UHFFFAOYSA- | MFCD00191606 | AS-15426 | 2-[3-(4, 5-Dihydro-1, 3-oxazol-2-yl)phenyl]-4, 5-dihydro-1, 3-oxazole | 2-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190654
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190654
• Sonrisas canónicas: C1COC(=N1)C2=CC(=CC=C2)C3=NCCO3
• IUPAC Name: 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
• InChIKey: HMOZDINWBHMBSQ-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
• Isómeros SMILES: C1COC(=N1)C2=CC(=CC=C2)C3=NCCO3
• Peso molecular: 216.24
• Reaxy-Rn: 883765
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=883765&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Oxazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Oxazoline - Oxacycle - Azacycle - Organoheterocyclic compound - 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 - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Very soluble in Dimethylformamide,Methanol,Ethanol,Chloroform; Very slightly soluble in Acetone,Toluene
• Punto de fusión (°C): 146 - 149°C
• Peso molecular: 216.240 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 295.000
• 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