1-Ethyl-1,2,4-triazole - ≥98% , CAS No.16778-70-4

CAS: 16778-70-4 Cat. No.: E587605 Summenformel: C₄H₇N₃ Molekulargewicht: 97.12

GRADE & PURITY ≥98%

Synonyms

AS-59013 | FT-0647813 | 1H-1,2,4-Triazole,1-ethyl- | 1H-1,2,4-Triazole, 1-ethyl- | SY107160 | MFCD07367971 | 1-Ethyl-1H-1,2,4-triazole | DTXSID60333962 | STL584872 | AB31524 | 1-Ethyl-1,2,4-triazole | AC-14375 | J-010394 | AKOS013122695 | 1-ethyl-[1,2,4]T

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AS-59013 | FT-0647813 | 1H-1,2,4-Triazole,1-ethyl- | 1H-1,2,4-Triazole, 1-ethyl- | SY107160 | MFCD07367971 | 1-Ethyl-1H-1,2,4-triazole | DTXSID60333962 | STL584872 | AB31524 | 1-Ethyl-1,2,4-triazole | AC-14375 | J-010394 | AKOS013122695 | 1-ethyl-[1,2,4]T

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508807268

Kanonisches Lächeln

CCN1C=NC=N1

IUPAC Name

1-ethyl-1,2,4-triazole

InChIKey

FEOIYPLRWRCSMS-UHFFFAOYSA-N

INCHI

1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3

Isomere SMILES

CCN1C=NC=N1

Molekulargewicht

97.12

Reaxy-Rn

108564

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108564&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
• 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: 97.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 97.064 Da
• Monoisotopic Mass: 97.064 Da
• Topological Polar Surface Area: 30.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.900
• 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