(4-(1H-1,2,4-Triazol-1-yl)phenyl)methanol - ≥97% , CAS No.143426-50-0

CAS: 143426-50-0 Cat. No.: H302870 Peso molecular: 175.19 Número EC: 810-227-4

GRADE & PURITY ≥97%

Synonyms

AKOS005070213 | [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol, AldrichCPR | 1-[4-(Hydroxymethyl)phenyl]-1H-1,2,4-triazole;4-(1,2,4-Triazol-1-yl)benzyl Alcohol | (4-(1H-1,2,4-Triazol-1-yl);phenyl);methanol | DTXSID10380123 | AC-2869 | [4-(1,2,4-triazol-1-yl)ph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS005070213 | [4-(1H-1, 2, 4-Triazol-1-yl)phenyl]methanol, AldrichCPR | 1-[4-(Hydroxymethyl)phenyl]-1H-1, 2, 4-triazole;4-(1, 2, 4-Triazol-1-yl)benzyl Alcohol | (4-(1H-1, 2, 4-Triazol-1-yl);phenyl);methanol | DTXSID10380123 | AC-2869 | [4-(1, 2, 4-triazol-1-yl)ph

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761944
• Sonrisas canónicas: C1=CC(=CC=C1CO)N2C=NC=N2
• IUPAC Name: [4-(1,2,4-triazol-1-yl)phenyl]methanol
• InChIKey: KDBNYFBYMKEKAQ-UHFFFAOYSA-N
• INCHI: 1S/C9H9N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-4,6-7,13H,5H2
• Isómeros SMILES: C1=CC(=CC=C1CO)N2C=NC=N2
• Peso molecular: 175.19
• Reaxy-Rn: 5427617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5427617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Benzyl alcohols Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Benzyl alcohol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
• 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

• Punto de ebullición (°C): 383°C
• Punto de fusión (°C): 124-126°
• Peso molecular: 175.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.075 Da
• Monoisotopic Mass: 175.075 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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