1H-Tetrazole-5-acetic acid - ≥98%(T) , CAS No.21743-75-9

CAS: 21743-75-9 Cat. No.: H138498 Peso molecular: 128.09 Número EC: 244-563-2

GRADE & PURITY ≥98%(T)

Synonyms

(2H-tetrazol-5-yl)-acetic acid | NSC 282047 | NSC282047 | NSC-282047 | T72085 | AKOS001216672 | EINECS 244-563-2 | BB 0237407 | J-505374 | BBL010266 | SCHEMBL241024 | ChemDiv2_000218 | EN300-24031 | 1H-tetrazole-5acetic acid | 1H-Tetrazole-5-acetic acid |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

1H-Tetrazole-5-acetic acid H2tza) can be prepared from ethyl 2-(1H-tetrazol-5-yl)acetate.

Specifications

Sinónimos

(2H-tetrazol-5-yl)-acetic acid | NSC 282047 | NSC282047 | NSC-282047 | T72085 | AKOS001216672 | EINECS 244-563-2 | BB 0237407 | J-505374 | BBL010266 | SCHEMBL241024 | ChemDiv2_000218 | EN300-24031 | 1H-tetrazole-5acetic acid | 1H-Tetrazole-5-acetic acid |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504755974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755974
• Sonrisas canónicas: C(C1=NNN=N1)C(=O)O
• IUPAC Name: 2-(2H-tetrazol-5-yl)acetic acid
• InChIKey: JUNAPQMUUHSYOV-UHFFFAOYSA-N
• INCHI: 1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
• Isómeros SMILES: C(C1=NNN=N1)C(=O)O
• WGK Alemania: 3
• Peso molecular: 128.09
• Reaxy-Rn: 1102788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102788&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazoles
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Tetrazole - 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 - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.
• 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 methanol (50 mg/ml)
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 177°C
• Peso molecular: 128.090 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 128.033 Da
• Monoisotopic Mass: 128.033 Da
• Topological Polar Surface Area: 91.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 116.000
• 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