4-Methyl-1,2,5-oxadiazole-3-carboxylic acid - ≥98% , CAS No.58677-34-2

CAS: 58677-34-2 Cat. No.: M589575 Peso molecular: 128.09 Número EC: 675-516-8

GRADE & PURITY ≥98%

Synonyms

EN300-75674 | FT-0677184 | SCHEMBL261709 | 1,2,5-oxadiazole-3-carboxylic acid, 4-methyl- | DTXSID00310934 | NSC234497 | NSC-234497 | 4-methyl-1,2,5-oxadiazole-3-carboxylicacid | 4-methyl-1,2,5-oxadiazole-3-carboxylic acid | SY079200 | S12290 | BBL028634 |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

EN300-75674 | FT-0677184 | SCHEMBL261709 | 1, 2, 5-oxadiazole-3-carboxylic acid, 4-methyl- | DTXSID00310934 | NSC234497 | NSC-234497 | 4-methyl-1, 2, 5-oxadiazole-3-carboxylicacid | 4-methyl-1, 2, 5-oxadiazole-3-carboxylic acid | SY079200 | S12290 | BBL028634 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=NON=C1C(=O)O
• IUPAC Name: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid
• InChIKey: GAIAHHRZVGJYQW-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O3/c1-2-3(4(7)8)6-9-5-2/h1H3,(H,7,8)
• Isómeros SMILES: CC1=NON=C1C(=O)O
• Peso molecular: 128.09
• Reaxy-Rn: 118700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Furazans
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furazan - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furazans. These are compounds containing a furazan moiety, which consists of a five-membered aromatic ring with 1 oxygen and 2 nitrogen atoms at positions 2, 1, and 5, 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

• Peso molecular: 128.090 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 128.022 Da
• Monoisotopic Mass: 128.022 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 127.000
• 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

Referencias

1. Xiuping Chen, Ting Zhang, Guangfei Qu, Yuanchuan Ren, Zuoliang Wang, Jun Wang, Ping Lu, Minhua Cheng, Xiaomei Chu.  (2023)  Mechanism study on a novel Cu/Fe co-catalyzed heterogeneous particle mediated activation of hydrogen peroxide for efficient degradation of cyanides.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2023.104414]