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Pyrocatechol violet - Indicator, high purity , CAS No.115-41-3
Basic Description
Synonyms
NSC 622476 | Pyrocatechinsulfonephthalein | FT-0623518 | MFCD00005868 | 3H-2, 3,3-bis(3,4-dihydroxyphenyl)-, 1,1-dioxide | AI3-63038 | P0569 | Pyrocatechol,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide | 1, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S
Specifications & Purity
indicator
Storage Temp
Argon charged
Shipped In
Normal
Grade
indicator
Product Description
Pyrocatechol Violet is a complexometric indicator dye. This phthalein dye chelates metals to form blue to blue-violet complexs. It is also a pH indicator with a transition interval from 0 - 8 (red to violet). It is known to be unstable when alkaline. The stability is improved at a neutral pH. When the pH is between 2-7 the color may be yellow.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Benzofuranones
Alternative Parents
Phthalides Benzoxathioles Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Benzene and substituted derivatives Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuranone - Phthalide - Benzoxathiole - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
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.
Names and Identifiers
Pubchem Sid
504754110
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754110
IUPAC Name
4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]benzene-1,2-diol
INCHI
InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H
InChIKey
RRRCKIRSVQAAAS-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
WGK Germany
3
Molecular Weight
386.38
Beilstein
353938
Reaxy-Rn
353938
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=353938&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (60 mg/ml), ethylene glycol monomethyl ether (60 mg/ml), and ethanol (8 mg/ml).
Sensitivity
Moisture sensitive.
Melt Point(°C)
185°C
Molecular Weight
386.400 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
386.046 Da
Monoisotopic Mass
386.046 Da
Topological Polar Surface Area
133.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
619.000
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
Citations of This Product
1.
Yiyang Guo, Yubin Ma, Xin Chen, Min Li, Xuehu Ma, Gang Cheng, Changying Xue, Yi Y. Zuo, Bingbing Sun.
(2023)
Mucus Penetration of Surface-Engineered Nanoparticles in Various pH Microenvironments. ACS Nano,
17
(3):
(2813–2828).
2.
Min Li, Fang Cheng, Changying Xue, Hanqi Wang, Chen Chen, Qiqi Du, Dan Ge, Bingbing Sun.
(2019)
Surface Modification of Stöber Silica Nanoparticles with Controlled Moiety Densities Determines Their Cytotoxicity Profiles in Macrophages. LANGMUIR,
35
(45):
(14688–14695).
3.
Yixuan Pan, Maohua Yang, Mei Zhang, Mingyan Jia.
(2019)
Rapid discrimination of commercial American ginseng and Asian ginseng according to diols composition using a colorimetric sensor array. SENSORS AND ACTUATORS B-CHEMICAL,
294
(48).
4.
Zhonghua Xue, Xiaoxia Fu, Honghong Rao, Mohammed Hassan Ibrahim, Lulu Xiong, Xiuhui Liu, Xiaoquan Lu.
(2017)
A colorimetric indicator-displacement assay for cysteine sensing based on a molecule-exchange mechanism. TALANTA,
174
(667).
5.
Sihua Qian, Hengwei Lin.
(2014)
A facile approach to cross-reactive colorimetric sensor arrays: an application in the recognition of the 20 natural amino acids. RSC Advances,
4
(56):
(29581-29585).
6.
Maohua Yang, Liangli Li, Chunni Zhao, Mei Zhang, Mingyan Jia.
(2024)
A colorimetric sensor array for the rapid identification of benzylisoquinoline alkaloids and Coptidis Rhizoma based on urease inhibition. FOOD CHEMISTRY,
(142610).
7.
Zhenwu Liang, Yuelian Qin, Xinyu Zhong, Xiaolong Ma, Lijun Deng, Ziwei Zou, Linlin Feng, Ziping Pan, Shihan Pan, Mei Li, Zhiheng Su, Jinxia Wu.
(2025)
A smartphone-integrated paper-based colorimetric sensor array: Real-time detection and classification of flavonoids. TALANTA,
293
(128030).
8.
Yao Chen, Yuan Li, Li-Lin Lin, Yue Liao, Huan Fang, Tong Wang.
(2024)
Intelligent identification of picking periods of Lu’an Guapian tea by an indicator displacement colorimetric sensor array combined with machine learning. FOOD RESEARCH INTERNATIONAL,
195
(114960).
9.
Zhenhao Zhao, Junbo Hu, Huimin Cui, Tianrui Zhao, Yaping Liu, Zhengxuan Wang, Guiguang Cheng.
(2025)
Tyrosinase inhibition and enzyme kinetics red rice bran protein peptides: mechanism, identification, in silico exploration, and experimental validation. Food Bioscience,
(106319).
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9 Citations
H2413443