Chromeazurol S - Reagent Grade , CAS No.1667-99-8

CAS: 1667-99-8 Cat. No.: C100314 Molecular Weight: 605.28 EC Number: 216-787-0 PubChem CID: 54694372

GRADE & PURITY Reagent Grade

Synonyms

Mordant Blue 29 | 2,6-Dichlorodimethyl-sulfoxy-fuchsonedicarboxylic Acid Sodium Salt | Chrome Azurol S

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Chromeazurol S is a hydrophilic anion. It is also known as Mordant Blue 29 (C.l. 43825) and Chrome Azurol S.

Application：

Chromeazurol S has been used to evaluate siderophore production by rhizosphere bacteria.
Reagent for determination of fluoride.

Specifications

Synonyms

Mordant Blue 29 | 2, 6-Dichlorodimethyl-sulfoxy-fuchsonedicarboxylic Acid Sodium Salt | Chrome Azurol S

Specifications & Purity

Reagent Grade

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Grade

Reagent Grade

Names and Identifiers

• Pubchem Sid: 504771377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771377
• Canonical Smiles: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
• InChIKey: FUIZKNBTOOKONL-DPSBJRLESA-K
• INCHI: 1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3/b17-12+
• Isomeric SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])/C(=C\2/C=C(C(=O)C(=C2)C(=O)O)C)/C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
• PubChem CID: 54694372
• Molecular Weight: 605.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aromatic monoterpenoids Benzenesulfonic acids and derivatives Salicylic acids Monocyclic monoterpenoids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids P-quinomethanes Ortho cresols Benzoyl derivatives Dichlorobenzenes Toluenes Aryl chlorides Organosulfonic acids Sulfonyls Vinylogous acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic metal halides Hydrocarbon derivatives Organic oxides Organic sodium salts Organochlorides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aromatic monoterpenoid - Salicylic acid - Salicylic acid or derivatives - Benzenesulfonate - Monoterpenoid - Monocyclic monoterpenoid - Hydroxybenzoic acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Quinomethane - P-quinomethane - O-cresol - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Phenol - Aryl chloride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Vinylogous acid - Cyclic ketone - Ketone - Carboxylic acid salt - Organic metal halide - Monocarboxylic acid or derivatives - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Organooxygen compound - Organic sodium salt - Organic oxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Associated Targets(Human)

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Very slightly soluble in Ethanol
• Sensitivity: Moisture sensitive；Light sensitive
• Molecular Weight: 605.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 603.935 Da
• Monoisotopic Mass: 603.935 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 4

XLogP3

References

1. Xiaoqing Lv, Zhengtai Ma, Jiaqi Xu, Zhen Wang, Guixian Zhu, Beiju Huang.  (2023)  A novel paper-based colorimetric sensor using parylene C for Al (III) detection on a smartphone platform.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109369]

2. Shan Sun, Sihua Qian, Jianping Zheng, Zhongjun Li, Hengwei Lin.  (2020)  A colorimetric sensor array for the discrimination of Chinese liquors.  ANALYST,  145  (21): (6968-6973).  [PMID:32856630] [10.1039/D0AN01496F]

3. Li Fang, Hu Yuting, Li Zimu, Liu Jiachang, Guo Lei, He Jianbo.  (2019)  Three-dimensional microfluidic paper-based device for multiplexed colorimetric detection of six metal ions combined with use of a smartphone.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (24): (6497-6508).  [PMID:31350590] [10.1007/s00216-019-02032-5]

4. Tongxiang Song, Huijie Liu, Tengteng Lv, Xuelin Zhao, Yina Shao, Qingxi Han, Chenghua Li, Weiwei Zhang.  (2018)  Characteristics of the iron uptake-related process of a pathogenic Vibrio splendidus strain associated with massive mortalities of the sea cucumber Apostichopus japonicus.  JOURNAL OF INVERTEBRATE PATHOLOGY,      [PMID:29729885] [10.1016/j.jip.2018.05.001]

5. Wen-tao Du, Ya-ru Wei, Xue Zhao, Qiang-qiang Gou, Omer Hassan Ali, Wen-di Wang, Jia-nan Xu, Zai-ping Feng, Xin-guo Zhang.  (2026)  Efficient Biosynthesis of Selenium-Enriched Saccharomyces cerevisiae via Siderophore-Assisted selenite uptake and biotransformation.  BIORESOURCE TECHNOLOGY,      [PMID:41638589] [10.1016/j.biortech.2026.134145]