Pyrogallol red - metal indicator , CAS No.32638-88-3

CAS: 32638-88-3 Cat. No.: P477486 Peso molecular: 400.36 Beilstein Registry Number: 19407 Número EC: 251-134-3 PubChem CID: 94437

GRADE & PURITY Metal indicator

Synonyms

3',4',5',6'-tetrahydroxyspiro[2,1-benzoxathiole-3,9'-xanthene]-1,1-dione | 3',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene]1,1-dioxide | EINECS 251-134-3 | PYROGALLOLRED | Pyrogallolsulfonephthalein | 1,1-dioxospiro[2,1lambda6-benzoxath

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3', 4', 5', 6'-tetrahydroxyspiro[2, 1-benzoxathiole-3, 9'-xanthene]-1, 1-dione | 3', 4', 5', 6'-Tetrahydroxyspiro[benzo[c][1, 2]oxathiole-3, 9'-xanthene]1, 1-dioxide | EINECS 251-134-3 | PYROGALLOLRED | Pyrogallolsulfonephthalein | 1, 1-dioxospiro[2, 1lambda6-benzoxath

Especificaciones y pureza

metal indicator

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Metal indicator

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O
• IUPAC Name: 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
• InChIKey: KUQNCHZOCSYKOR-UHFFFAOYSA-N
• INCHI: 1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H
• Isómeros SMILES: C1=CC=C2C(=C1)C3(C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O)OS2(=O)=O
• PubChem CID: 94437
• Peso molecular: 400.36
• Beilstein: 19407
• Reaxy-Rn: 363738

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Benzofuranones Benzoxathioles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzofuranone - Phthalide - Benzoxathiole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Oxacycle - Polyol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): ≥300 °C
• Peso molecular: 400.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 400.025 Da
• Monoisotopic Mass: 400.025 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 690.000
• 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. Xin Wang, Lei Zhao, Jinshuang Hu, Hua Wei, Xiaoyang Liu, Enshou Li, Shenghong Yang.  (2022)  Rational design of novel carbon-oxygen quantum dots for ratiometrically mapping pH and reactive oxygen species scavenging.  CARBON,      [PMID:] [10.1016/j.carbon.2022.01.006]

2. Yanmei Zhu, Fushuang Xiang, Yuanyuan Su, Xue Jiang, Yipeng Cang, Wanjun Long, Wei Lan, Gaoqiong Deng, Hengye Chen, Yuanbin She, Haiyan Fu.  (2023)  Authenticity identification of high – Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App.  FOOD CHEMISTRY,      [PMID:37979267] [10.1016/j.foodchem.2023.137980]

3. Weimin Qi, Tianjiao Zhao, Min Liu, Xiaojing Shi, Yongqi Yang, Yunying Huang, Niansheng Li, Kelong Ai, Qiong Huang.  (2025)  Engineered tantalum sulfide nanosheets for effective acute liver injury treatment by regulating oxidative stress and inflammation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40250115] [10.1016/j.jcis.2025.137596]

4. Mingyue Yan, Kehao Hou, Jinpeng Zhao, Shuangshan Li, Xiaolin Wu, Shichao Bi, Jing Yu, Tianrui Wang, Yingze Zhang.  (2025)  Ultra-small Iron-based Nanoparticles Mitigate Rheumatoid Arthritis Inflammation via Macrophage Repolarization and SLC7A11/GPX4-Mediated Ferroptosis Inhibition.  Materials Today Bio,      [PMID:41322148] [10.1016/j.mtbio.2025.102551]

5. Yuanqing Niu, Hengrui Chang, Jiaxin Xu.  (2025)  Regenerative treatment of zinc-based nanoenzyme incorporated injectable hydrogel with mesenchymal stem cells alleviates spinal cord injury.  JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION,      [PMID:41167984] [10.1080/09205063.2025.2574942]

6. Xiumei Geng, Ruiying Xie, Xinxin Sun, Xiang Zhang, Xuerui Wang, Roberto Castro Muñoz, Meixia Shan, Yatao Zhang.  (2025)  Influence of Filler Microstructure on Propylene/Propane Separation in Calixarene-based Mixed Matrix Membranes.  Advanced Membranes,      [PMID:] [10.1016/j.advmem.2025.100192]

7. Kui Wang, Lu Shen, Xiang Ji, Jiale Gong, Chenchen Cui, Jiahong Xie, Liang Hong.  (2025)  Pyrogallol adhesion and mineralized bionic hybrid layer decorating UHMWPE fiber for enhancing the interfacial and mechanical properties.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2025.109528]

8. Lijie Wang, Honggang Sun, Jianfeng Zhang, Linshui Dong.  (2025)  Productivity Dynamics in Chinese Fir Plantations: The Driving Role of Plant–Soil–Microbe Interactions in Northern Subtropical China.  Forests,  16  (12): (1854).  [PMID:] [10.3390/f16121854]

9. Wenxin Hua, Jingzhong Kuang, Zheyu Huang, Lei Wang, Man Chen, Chenyang Zhang, Mingming Yu, Lingguo Meng.  (2025)  Selective separation mechanism of a metal inhibitor complex for scheelite and calcite: The structural stability of Fe3+-pyrogallol complex.  MINERALS ENGINEERING,      [PMID:] [10.1016/j.mineng.2025.109913]