2-Oxazolemethanol - ≥96% , CAS No.130551-92-7

CAS: 130551-92-7 Cat. No.: O190499 Summenformel: C₄H₅NO₂ Molekulargewicht: 99.09 EG-Nummer: 807-914-6

GRADE & PURITY ≥96%

Synonyms

BB 0261242 | (1,3-Oxazol-2-yl)methanol | 2-(Hydroxymethyl)oxazole | PB27948 | 2-Hydroxymethyloxazole | 2-HYDROXYMETHYL-OXAZOLE | oxazolylcarbinol | 2-Hydroxymethyl oxazole | AM20080218 | 1,3-oxazol-2-ylmethanol | 2-(Hydroxymethyl)-1,3-oxazole | FT-0648369

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

BB 0261242 | (1,3-Oxazol-2-yl)methanol | 2-(Hydroxymethyl)oxazole | PB27948 | 2-Hydroxymethyloxazole | 2-HYDROXYMETHYL-OXAZOLE | oxazolylcarbinol | 2-Hydroxymethyl oxazole | AM20080218 | 1,3-oxazol-2-ylmethanol | 2-(Hydroxymethyl)-1,3-oxazole | FT-0648369

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥96%

Namen und Kennungen

• Kanonisches Lächeln: C1=COC(=N1)CO
• IUPAC Name: 1,3-oxazol-2-ylmethanol
• InChIKey: IEHJKGRLVGZCMX-UHFFFAOYSA-N
• INCHI: 1S/C4H5NO2/c6-3-4-5-1-2-7-4/h1-2,6H,3H2
• Isomere SMILES: C1=COC(=N1)CO
• Molekulargewicht: 99.09
• Reaxy-Rn: 4305612
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4305612&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Oxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxazoles. These are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• 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

• Molekulargewicht: 99.090 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 99.032 Da
• Monoisotopic Mass: 99.032 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 57.700
• 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