1-Hydroxybenzotriazole Monohydrate - ≥97% , CAS No.123333-53-9

CAS: 123333-53-9 Cat. No.: H106176 Molecular Weight: 135.13 Beilstein Registry Number: 26,41 EC Number: 602-929-2

GRADE & PURITY ≥97%

Synonyms

1-hydroxy-1H-1,2,3-benzotriazole hydrate | AM83834 | n-hydroxybenzotriazole h2o | 1,2,3-benzotriazole-1-ol, monohydrate | A805049 | HOBt hydrate wetted with not less than 20 wt. % water | N-Hydroxybenzotriazole.H2O | 1 -hydroxybenzotriazole hydrate | 1-Hy

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-hydroxy-1H-1, 2, 3-benzotriazole hydrate | AM83834 | n-hydroxybenzotriazole h2o | 1, 2, 3-benzotriazole-1-ol, monohydrate | A805049 | HOBt hydrate wetted with not less than 20 wt. % water | N-Hydroxybenzotriazole.H2O | 1 -hydroxybenzotriazole hydrate | 1-Hy

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Inhibits racemization in peptide syntheses using DCC as condensing agent.

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762177
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762177
• Canonical Smiles: C1=CC=C2C(=C1)N=NN2O.O
• IUPAC Name: 1-hydroxybenzotriazole;hydrate
• InChIKey: PJUPKRYGDFTMTM-UHFFFAOYSA-N
• INCHI: 1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
• Isomeric SMILES: C1=CC=C2C(=C1)N=NN2O.O
• Alternate CAS: 80029-43-2
• Molecular Weight: 135.13
• Beilstein: 26,41
• Reaxy-Rn: 5627231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5627231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Benzenoids Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Benzenoid - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 160°C
• Molecular Weight: 153.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 153.054 Da
• Monoisotopic Mass: 153.054 Da
• Topological Polar Surface Area: 51.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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: 2

XLogP3

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59. Zhuangran Tuo, Yuanfeng Pan, Pingxiong Cai.  (2025)  Facile and green fabrication of biodegradable aerogel from chitosan derivatives/modified gelatin as absorbent for oil removal.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39824399] [10.1016/j.ijbiomac.2025.139949]

60. Yiming Chen, Huiying Li, Renfeng Xu, Yan Fang, Qinhui Chen, Zhengchao Wang, Haiqing Liu, Yunxiang Weng.  (2024)  Ferried Albumin-Inspired Bioadhesive with Dynamic Interfacial Bonds for Emergency Rescue.  Advanced Healthcare Materials,      [PMID:38483196] [10.1002/adhm.202400033]

61. Zhirong Zhang, Linghui Sun, Feiyu Chen, Xiangui Liu, Xu Huo, Xiuxiu Pan, Chun Feng.  (2024)  Host-guest strategy improves rheological properties, conformational stability and oil displacement efficiency of xanthan gum.  CARBOHYDRATE POLYMERS,      [PMID:39227088] [10.1016/j.carbpol.2024.122598]

62. Baoyue Zhang, Jiang Yu, Ruiping Huang, Jianying Ye, Fanlin Meng, Zhaochu Xu, Wenwen Cui, Jia Song, Siqi Wang, Yanjun Du, Qingzhi Lv, Wanling Zhu, Dan Liu, Yongjun Wang.  (2024)  Iron ion driven remote loading of galloylated cabazitaxel prodrugs for synergistic ferroptosis and chemotherapy.  Materials Today Nano,      [PMID:] [10.1016/j.mtnano.2024.100551]

63. Ling Zheng, Farzad Seidi, Hongmiao Wu, Yang Huang, WeiBing Wu, Huining Xiao.  (2024)  Low swelling Alginate/Lignin network gels with redox responsiveness for sustained release of agricultural fungicide and Pb2+ complexation.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.112805]

64. Naying Shan, Zihao Guan, Zhiyuan Wei, Lulu Fu, Yang Zhao, Fang Liu, Lu Chen, Yanyan Xue, Zhipeng Huang, Mark G. Humphrey, Jun Xu, Chi Zhang.  (2024)  N-terminalized titanium carbide MXene coupled with graphene oxide toward optimized temporal domain-dependent nonlinear absorption.  Journal of Materials Chemistry C,  12  (16): (5737-5747).  [PMID:] [10.1039/D4TC00366G]

65. Qianfu Zhang, Zhixuan Li, Sihan Zhou, Ji Li.  (2024)  Regenerative Outcomes of Combining siCOL1A2 Hydrogel with Acupuncture in a Rat Model of Chronic Intervertebral Disc Degeneration.  Bioengineering-Basel,  11  (11): (1066).  [PMID:39593726] [10.3390/bioengineering11111066]

66. Jia-Xian Li, Na Shu, Yao-Jun Zhang, Qi-Song Tong, Ling Wang, Jing-Yang Zhang, Jin-Zhi Du.  (2024)  Self-Assembled Nanoparticles from the Amphiphilic Prodrug of Resiquimod for Improved Cancer Immunotherapy.  ACS Applied Materials & Interfaces,      [PMID:38735053] [10.1021/acsami.4c01563]

67. Guanjun Liu, Yan Liu, Meng Zhang, Danyang Zhao, Ping Liu, Lu Wang, Lizhi Li, Meiling Yan.  (2025)  Covalently bonded graphene oxide-carbon nanotube hybrid nanofillers for achieving high-performance polyamide 6 composites with superior mechanical properties and thermal conductivity.  Nanoscale,      [PMID:40698435] [10.1039/D5NR02405F]

68. Kuiyu Meng, Liwen Yuan, Lulu Feng, Yaoyao Zhang, Hao Wu, Jie Zhang, Mubbashar Abbas, Wei Qu, Dongmei Chen, Shuyu Xie.  (2025)  Triple-targeting nanosystems with synergistic effects on iron Trojan horse, fluoroquinolone antibiotics, and photodynamic therapy specifically kill intracellular MRSA.  Theranostics,  15  (17): (9326).  [PMID:40963910] [10.7150/thno.109374]

69. Haizhu Shi, Qian Chen, Shuling Yang, Chungu Zhang, Yu Wan, Shun Feng, Lian-Hai Shan.  (2025)  Biomimetic Epitope-Imprinted Nanogatekeepers on Mesoporous Silica for Tumor-Targeted Drug Delivery.  ACS Applied Bio Materials,      [PMID:40792690] [10.1021/acsabm.5c01295]

70. Haoran Sun, Junyi Jiang, Yanglei Zheng, Shuangfei Xiang, Shujun Zhao, Feiya Fu, Xiangdong Liu.  (2023)  Synthesis of a renewable bisguaiacol amide and its hydrogen bonding effect on enhancing polybenzoxazine performance.  Polymer Chemistry,  14  (14): (1613-1621).  [PMID:] [10.1039/D2PY01424F]

71. Jinjin Zhu, Dongze Wu, Shuhui Yang, Jie Pan, Jingchuan Zheng, Zhe Gong, Xiaoyong Lin, Han Zhang, Xiangdong Kong, Zhaoming Liu, Xiangqian Fang, Ruikang Tang, Yueqi Zhao.  (2025)  Organic-Inorganic Composite Hydrogel with Biomimetic Structural Gradient for Osteochondral Regeneration in Osteoarthritis.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202518117]

72. Huan Zheng, Pan Ran, Wenxiong Cao, Guiyuan Zhang, Yupeng Su, Kang Zhang, Xiaohong Li.  (2025)  Shear Stress-Triggered Thrombolysis by Yolk–Shell Nanoparticles with Piezoelectric-Tribovoltaic Dynamic Schottky Junctions.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202503751]

73. Huan Zheng, Wenxiong Cao, Kang Zhang, Pan Ran, Shijun Yang, Tianyu Gao, Xiaohong Li.  (2025)  Yolk-Shell Nanoparticles with Shear Stress-Triggered Triboluminescence for Dynamic Thrombus Imaging and Tribocatalytic-Photodynamic Thrombolysis.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202522684]

74. Xiu-Rong Zhang, Nian-Qiu Shi, Yang Zhao, He-Yun Zhu, Jiao Guan, Ying Jin.  (2015)  Deoxycholic acid-grafted PEGylated chitosan micelles for the delivery of mitomycin C.  DRUG DEVELOPMENT AND INDUSTRIAL PHARMACY,      [PMID:24785368] [10.3109/03639045.2014.913613]

75. Liu Junyu, Wang Hua, Zhang Caihua.  (2025)  Acteoside-Loaded Self-Healing Hydrogel Enhances Skin Wound Healing through Modulation of Hair Follicle Stem Cells.  Cellular and Molecular Bioengineering,      [PMID:40290106] [10.1007/s12195-025-00845-2]

76. Haizhu Shi, Mengzhao Wen, Weige Dong, Chungu Zhang, Lian-Hai Shan, Ming-Yu Wu, Shun Feng.  (2025)  Orchestrated Molecularly Imprinted Nanoparticles for Tumor-Targeted and Chemo-Photothermal Therapy.  ACS Applied Materials & Interfaces,      [PMID:40327823] [10.1021/acsami.5c01212]

77. Yanyan Zhang, Huimin Zheng, Yu Zhao, Cong Du, Jian Zhang, Jinying Liu, Shengjie Jiang, Yan Wei, Chuan-Liang Feng.  (2025)  Deciphering the Distinct Roles of Molecular and Supramolecular Chirality in Osteogenic Differentiation of Mesenchymal Stem Cells in 3D Hydrogels.  ACS Nano,      [PMID:40425514] [10.1021/acsnano.5c00875]

78. Haoguan Gui, Jiale Xu, Guozhi Liang, Xiangjun Ren, Fenfen Zhang, Chao Liu, Shixiang Zuo, Tao Zhang, Yunsheng Ding.  (2025)  Recyclable cellulose nanofiber/carbon nanotube frameworks encapsulating thermoresponsive organogels for high-energy-density shape-stabilized phase-change composites.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:41072702] [10.1016/j.ijbiomac.2025.148184]

79. Zhanlin Zhang, Qiuyu Li, Wenxiong Cao, Junwu Wei, Long He, Xiaotong Zheng, Xiaohong Li.  (2025)  Self-electrophoresis-propelled and self-built electric field- enhanced photocatalytic nanomotors for round-the-clock environmental remediation.  Materials Horizons,      [PMID:41114837] [10.1039/D5MH00902B]

80. Yueyue Li, Yisheng Wang, Yingying Xiong, Xuejiao Liu, Yang Li, Ying Zhang, Haojie Lu.  (2025)  Comprehensive Characterization of Atypical Serum Albumin N-Glycosylation Reveals Hepatocellular Carcinoma Diagnostic Biomarkers.  ANALYTICAL CHEMISTRY,      [PMID:41178740] [10.1021/acs.analchem.5c04997]

81. Wanjun Jin, Cheng Li, Chengjian Wang, Ming Wei, Yuanlin Sun, Qingzhen Yang, Zhongfu Wang, Linjuan Huang.  (2025)  Differentiation of α2,3- and α2,6-linked sialylated N/O-glycan isomers in human seminal plasma by an glycoqueuing strategy.  CARBOHYDRATE RESEARCH,      [PMID:41352000] [10.1016/j.carres.2025.109780]

82. Chaoming Wang, Jing Zhang, Dongping Wang, Shengle Chen, Qi Yuan, Ruijuan Yin, Guiyang Yao, Xin Qi, Jing Li, Tao Jiang.  (2025)  Conjugating 10,11-Dimethoxy-camptothecin with an Integrin αvβ3-Targeting Peptide through a Triazine Linker for Targeted Tumor Treatment in Lung and Pancreatic Carcinoma.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:41271611] [10.1021/acs.jmedchem.5c02059]

83. Tianyin Huang, Yifan Yu, Wentao Zhang, Yue Zhao, Yiliang Tao, Wenguang Huang, Bingdang Wu.  (2026)  Molecular orbital-guided design of laccase–mediator systems for antibiotic removal in the presence of humic acid.  BIORESOURCE TECHNOLOGY,      [PMID:41513177] [10.1016/j.biortech.2026.133957]

84. Jingyan Wei, Shixin Li, Shuaiqi Ma, Peihang Jiang, Asma Riaz, Fengying Feng, Hongxin Niu, Jian He.  (2026)  Cyclic dipeptides inhibit Staphylococcus aureus biofilm formation and virulence via agr-quorum sensing, ica, and sarA pathways.  MICROBIAL PATHOGENESIS,      [PMID:41644069] [10.1016/j.micpath.2026.108359]

85. Yahui Xie, Yun Liu, Haibo Zhao, Xuemin Kang, Haiteng Tao, Bin Yu, Bo Cui.  (2026)  Gelatin/starch hydrogel tissue adhesive loaded with EGCG-Zr complex with antibacterial, antioxidant, and immunomodulatory properties for advanced wound healing.  Biomaterials Advances,      [PMID:41690128] [10.1016/j.bioadv.2026.214769]

86. Qiu Wang, Yi Lin, Jiahui Xiao, Keqing Xu, Zijin Luo, Hongyu Ren, Fan Liu, Lu Jia, Tuo Wei, Qiang Cheng.  (2026)  Optimizing Peptide Ionizable Lipids Enables Efficient and Low-Toxicity mRNA Delivery for In Vivo Prime Editing and Protein Replacement Therapy.  ADVANCED MATERIALS,      [PMID:41656866] [10.1002/adma.202522552]

87. Shaojie Chen, Hao Tang, Xiaoliang Fan, Bohan Li, Yaomin Wang, Wei Zhou, Xiaoyu Jiang, Xiaomin Dong, Yanyi Wang, Peng Zhao, Tianwen Ye, Bolin An, Yijun Zheng, Chao Zhong.  (2026)  Bio-orthogonal functionalization of bacterial cellulose combining metabolic glycoengineering and click chemistry.  Nature Communications,      [PMID:41633993] [10.1038/s41467-026-69130-8]

88. Yiqing Wang, Jingkai Liu, Ziyu Liu, Jinyue Dai, Xiaoqing Liu.  (2026)  Sustainable benzoxazine-based phase change materials: from bio-based to upcycling.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2026.114787]