Reactive red 2 , CAS No.17804-49-8

CAS: 17804-49-8 Cat. No.: R339042 Formula: C₁₉H₁₀Cl₂N₆Na₂O₇S₂ Molecular Weight: 615.33 EC Number: 241-776-2 PubChem CID: 28781

Synonyms

Procion Red MX 5B

Storage

Room temperature

Shipped In

Normal

Overview

Procion Red is a monoazo dye, that is highly soluble in water. It is used for dyeing cellulose, nylon, silk and wool.

Application：

Procion Red has been used in the visualization of osteocyte canalicular system. It has been used as an adsorbate in the biosorption by Bacillus subtilis.

Specifications

Synonyms

Procion Red MX 5B

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488183087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183087
• Canonical Smiles: C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+]
• IUPAC Name: disodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate
• InChIKey: XWZDJOJCYUSIEY-UHFFFAOYSA-L
• INCHI: 1S/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+]
• WGK Germany: 2
• RTECS: QJ6416000
• PubChem CID: 28781
• Molecular Weight: 615.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Aminotriazines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Amines Organochlorides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Phenoxide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Organic metal halide - Amine - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene 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

Chemical and Physical Properties

• Solubility: Soluble in water (partly).
• Refractive Index: n20D1.80 (Predicted)
• Melt Point(°C): >300° C (lit.)
• Molecular Weight: 615.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 613.922 Da
• Monoisotopic Mass: 613.922 Da
• Topological Polar Surface Area: 227.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 968.000
• 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: 3

XLogP3

References

1. Qiuyu Zhu, Youping Yu, Hanchang Hu, Lei Wang, Xiang Mi.  (2023)  Regulating the hydroxyl groups reactivity of cellulose by grafting the quaternary ammonium group to achieve a salt-free and low alkali dyeing process for reactive dye.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38161013] [10.1016/j.ijbiomac.2023.129057]

2. Tang Xing, Jin Hongyi, Zou Jing, Liu Shupo, Li Fei, Zhou Zhenming.  (2022)  Activation of peroxymonosulfate by catalysts derived from water treatment plant sludge for the simultaneous removal of Disperse Blue 56 and phosphates.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  30  (13): (35683-35697).  [PMID:36538231] [10.1007/s11356-022-24792-x]

3. Shuhui Wang, Yu Huang, Xu Meng, Xiang Liu.  (2020)  Highly efficient and heterogeneous OMS-2 for the directly oxidative degradation of organic dyes under acidic condition.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2020.107969]

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5. Haike Li, Zhiyun Kong, Huan Zhang, Xiaolei Wang, Xin Wei, Ruichao Yang, Xueyi Zhang.  (2025)  HKUST-1 bridged calcium alginate gel nanofiltration membrane for separating drugs from organic solvents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132198]

6. Meijie Wang, Yunzhuo Xu, Jiamei Sun, Dai Shi, Youqing Tian, Hanyang Liu, Beili Lu, Lirong Tang, Jianhua Lv, Xingzhong Cao, Biao Huang, Xinda You.  (2025)  Ultrathin amphiphilic membranes polymerized from hydrophobic terpenoids and hydrophilic polyamines for versatile organic solvent nanofiltration.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124115]

7. Jiangnan Xu, Xiu Luo, Weiwei Su, Guorong Jia, Huawei Cai, Danni Li, Rou Li, Xiangdong Wang, Yefa Yang, Tao Wang, Changjing Zuo.  (2025)  Turning Waste into Treasure: Radiation Byproduct-Induced Fe(III)/Fe(II) Conversion for Efficient Ferroptosis to Improve Iodine-131-Based Transarterial Radioembolization for Liver Tumors.  ACS Applied Materials & Interfaces,      [PMID:40338615] [10.1021/acsami.5c01445]

8. Danni Li, Xingyu Liu, Yanhong Wang, Boyu Cai, Chao Cheng, Changjing Zuo, Fei Tan.  (2025)  FAP-targeted radionuclide therapy induces ferroptosis in cancer-associated fibroblasts via disrupting iron homeostasis and redox balance.  Acta Pharmaceutica Sinica B,      [PMID:] [10.1016/j.apsb.2025.10.035]

9. Bei Gao, Jin Bai, Rui Xiao, Jiaqi Li, Mengying Wang, Ziyi Wang, Zhihui Feng, Jianfeng Shi, Zhongbo Liu.  (2026)  Structural alterations in osteocyte dendrites and lacunar-canalicular networks of the mandible of ovariectomized mice.  JOURNAL OF PERIODONTOLOGY,      [PMID:41902624] [10.1002/jper.70134]