3-Ethyl-2-methylbenzoxazolium iodide - ≥97% , CAS No.5260-37-7

CAS: 5260-37-7 Cat. No.: E334734 Peso molecular: 289.11 Número EC: 226-068-3 PubChem CID: 21331

GRADE & PURITY ≥97%

Synonyms

3-ethyl-2-methylbenzo[d]oxazol-3-ium iodide | 3-ethyl-2-methylbenzo[d]oxazol-3-iumiodide | ethyl-2-methyl-benzoxazolium iodide | FT-0635590 | AKOS015889341 | D90528 | E0477 | 2-Methyl-3-ethylbenzoxazolium iodide | DTXSID60884141 | 3-ethyl-2-methyl-1,3-ben

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3-ethyl-2-methylbenzo[d]oxazol-3-ium iodide | 3-ethyl-2-methylbenzo[d]oxazol-3-iumiodide | ethyl-2-methyl-benzoxazolium iodide | FT-0635590 | AKOS015889341 | D90528 | E0477 | 2-Methyl-3-ethylbenzoxazolium iodide | DTXSID60884141 | 3-ethyl-2-methyl-1, 3-ben

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753032
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753032
• Sonrisas canónicas: CC[N+]1=C(OC2=CC=CC=C21)C.[I-]
• IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide
• InChIKey: UZWYLWSUBQEUMC-UHFFFAOYSA-M
• INCHI: 1S/C10H12NO.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
• Isómeros SMILES: CC[N+]1=C(OC2=CC=CC=C21)C.[I-]
• WGK Alemania: 3
• RTECS: DM5285000
• PubChem CID: 21331
• Peso molecular: 289.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazoles
• Alternative Parents: Benzenoids Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic iodide salt - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly), and methanol (100 mg/ml).
• Sensibilidad: light sensitive；moisture sensitive
• Punto de fusión (°C): 197° C (lit.)(dec.)
• Peso molecular: 289.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 288.996 Da
• Monoisotopic Mass: 288.996 Da
• Topological Polar Surface Area: 17.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 160.000
• 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: 2

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