1-Hydroxy-7-azabenzotriazole - ≥99% , CAS No.39968-33-7

CAS: 39968-33-7 Cat. No.: H109328 Peso molecular: 136.11 Número EC: 609-760-3

GRADE & PURITY ≥99%

Synonyms

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy- | 7-Aza-1-hydroxybenzotriazole | 1-hydroxyl-7-azabenzotriazole | 3H-[1,2,3]triazolo[4,5-b]pyridin-3-ol | 3-hydroxytriazolo[4,5-b]pyridine | HOAt | UNII-TX8XYH09H0

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3H-1, 2, 3-Triazolo[4, 5-b]pyridine, 3-hydroxy- | 7-Aza-1-hydroxybenzotriazole | 1-hydroxyl-7-azabenzotriazole | 3H-[1, 2, 3]triazolo[4, 5-b]pyridin-3-ol | 3-hydroxytriazolo[4, 5-b]pyridine | HOAt | UNII-TX8XYH09H0

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488188519
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188519
• Sonrisas canónicas: C1=CC2=C(N=C1)N(N=N2)O
• IUPAC Name: 3-hydroxytriazolo[4,5-b]pyridine
• InChIKey: FPIRBHDGWMWJEP-UHFFFAOYSA-N
• INCHI: 1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
• Isómeros SMILES: C1=CC2=C(N=C1)N(N=N2)O
• WGK Alemania: 3
• Número ONU: 1993
• Peso molecular: 136.11
• Reaxy-Rn: 1211115
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1211115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Heteroaromatic compound - 1,2,3-triazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

• Índice de refracción: 1.439
• Punto de inflamación (°F): 58 °C
• Punto de inflamación (°C): 58°C
• Punto de fusión (°C): 213-216°C
• Peso molecular: 136.110 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 136.039 Da
• Monoisotopic Mass: 136.039 Da
• Topological Polar Surface Area: 63.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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. Xiaohui Feng, Na Liu, Youyou Yang, Shengnan Feng, Juan Wang, Qingshi Meng.  (2022)  Isotope-Coded Chemical Derivatization Method for Highly Accurately and Sensitively Quantifying Short-Chain Fatty Acids.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35549180] [10.1021/acs.jafc.2c01836]

2. Shuangshou Wang, Lu Zhang, Qiwen Jin, Zhongqiu Xu, Jiayi Zhao, Yuwen Ding, Wenzhi Li, Peng Lin, Jing Gu, Qi Zhang, Yang Chen, Hongmei Chen, Tingxuan Yan.  (2022)  Filter paper-based colorimetric analysis: An instrument-free strategy for semiquantitative naked-eye detection of food colorants.  FOOD CHEMISTRY,      [PMID:35551021] [10.1016/j.foodchem.2022.133087]

3. Ye-wei Zhang, Qing Zhang, Yu-xing Peng, Chen Wang, Xiang-dong Chang, Guo-an Chen.  (2022)  Tribological behavior of octadecylamine functionalized graphene oxide modified oil for wire rope in mine hoist.  WEAR,      [PMID:] [10.1016/j.wear.2022.204273]

4. Bilal Ul Amin, Haojie Yu, Li Wang, Ahsan Nazir, Shah Fahad, Fazal Haq, Sahid Mahmood, Md Alim Uddin, Tarig Elshaarani, Di Shen.  (2020)  Synthesis of Ferrocene-based Esters as Burning Rate Catalysts and their Anti-migration Study.  ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,  646  (20): (1671-1678).  [PMID:] [10.1002/zaac.202000253]

5. Yang Zhang, Yan Qiao, Xin Ding, Ya Zhang, Xuemei Su, Lei Zhang, Qian Zhou, Guangguo Tan.  (2025)  Quantitative method for intestinal short chain fatty acids based on stable isotope labeling combined with liquid chromatography-mass spectrometry.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:40081306] [10.1016/j.jpba.2025.116798]

6. Yuanhong Zhou, Ziyuan Zong, Xiaofang Liu, Xiang Chen, Zhifeng Hao, Mohamed S. Selim, Jian Yu.  (2025)  Multifunctional Chitosan Hydrogel Integrated with Penicillin-Grafted MXene for Synergistic Antibacterial Application.  ACS Applied Bio Materials,      [PMID:40959970] [10.1021/acsabm.5c01367]