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Reactive red 120 , CAS No.61951-82-4
a polyaromatic azo organosulfur dye
Basic Description
Synonyms
Reactive Red 120 | (3Z,3'Z)-5,5'-{benzene-1,4-diylbis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{4-oxo-3-[(2-sulfophenyl)hydrazono]-3,4-dihydronaphthalene-2,7-disulfonic acid} | ProcionRedHEB | Reactive Brilliant Red Ke-3b
Specifications & Purity
Dye content ≥50%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
Reactive red 120 is a polyaromatic azo organosulfur dye.
Taxonomic Classification
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 Naphthols and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids Aminotriazines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organochlorides Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - 1-hydroxy-4-unsubstituted benzenoid - Halo-s-triazine - Aminotriazine - Triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Monocyclic benzene moiety - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - 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
bis(azo) compound - azobenzenes - diamino-1,3,5-triazine - chloro-1,3,5-triazine - naphthalenesulfonic acid
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
INCHI
InChI=1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)
InChIKey
OVSNDJXCFPSPDZ-UHFFFAOYSA-N
Smiles
Oc1c(\N=N\c2ccccc2S(O)(=O)=O)c(cc3cc(cc(Nc4nc(Cl)nc(Nc5ccc(Nc6nc(Cl)nc(Nc7cc(cc8cc(c(\N=N\c9ccccc9S(O)(=O)=O)c(O)c78)S(O)(=O)=O)S(O)(=O)=O)n6)cc5)n4)c13)S(O)(=O)=O)S(O)(=O)=O
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)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C(=C8O)N=NC9=CC=CC=C9S(=O)(=O)O)S(=O)(=O)O)Cl)O)S(=O)(=O)O
WGK Germany
3
MeSH Entry Terms
C44H24Cl2N14Na6O20S6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (60-70 mg/ml at 20° C), and 50% ethanol (1 mg/ml).
Refractive Index
n20D1.86 (Predicted)
Melt Point(°C)
>350° C
Molecular Weight
1338.100 g/mol
XLogP3
6.400
Hydrogen Bond Donor Count
12
Hydrogen Bond Acceptor Count
34
Rotatable Bond Count
18
Exact Mass
1335.95 Da
Monoisotopic Mass
1335.95 Da
Topological Polar Surface Area
592.000 Ų
Heavy Atom Count
86
Formal Charge
0
Complexity
2910.000
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.
Xuewu Zhu, Zhongyue Sun, Fengxun Tan, Feiyong Chen, Xinsheng Luo, Feihong Wang, Daoji Wu, Heng Liang, Daliang Xu, Xiaoxiang Cheng.
(2024)
Tailoring high-performance polyester loose nanofiltration membrane for selective separation of salt/dyes: The equilibrium of condensation and hydrolysis. SEPARATION AND PURIFICATION TECHNOLOGY,
333
(125848).
2.
Qiuyu Zhu, Youping Yu, Hanchang Hu, Lei Wang, Xiang Mi.
(2024)
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,
258
(129057).
3.
Abdul Ghaffar, Muhammad Hassan, Oleksiy V. Penkov, Cafer T. Yavuz, Kemal Celebi.
(2023)
Tunable Molecular Sieving by Hierarchically Assembled Porous Organic Cage Membranes with Solvent-Responsive Switchable Pores. ENVIRONMENTAL SCIENCE & TECHNOLOGY,
57
(48):
(20380–20391).
4.
Dong Yangbo, Feng Danyang, Li Wei, Zhang Rui, Dou Shuzhen, Wang Luoqi, Yang Yan, Wang Li, Yang Yang, Wei Feng, Qiao Zhen-An.
(2023)
Interfacial co-assembly strategy towards gradient mesoporous hollow sheet for molecule filtration. NPG Asia Materials,
15
(1):
(1-8).
5.
Xuewu Zhu, Zhongyue Sun, Jingtao Xu, Sisi Xu, Xinsheng Luo, Fengxun Tan, Xiaolong Lu, Daoji Wu, Heng Liang, Xiaoxiang Cheng.
(2024)
Poly(vinyl alcohol)-based polyester nanofiltration membranes for fractionation of dye/salt mixtures: Alcoholysis degree matters. SEPARATION AND PURIFICATION TECHNOLOGY,
328
(125076).
6.
Hukang Guo, Jianxiao Jiang, Chuanjie Fang, Liping Zhu.
(2023)
Highly crystalline and robust covalent organic framework membranes for predictable solvent transport and molecular separation. Journal of Materials Chemistry A,
11
(36):
(19374-19383).
7.
Zhongyue Sun, Xuewu Zhu, Fengxun Tan, Weiwei Zhou, Yongrui Zhang, Xinsheng Luo, Jingtao Xu, Daoji Wu, Heng Liang, Xiaoxiang Cheng.
(2023)
Poly(vinyl alcohol)-based highly permeable TFC nanofiltration membranes for selective dye/salt separation. DESALINATION,
553
(116479).
8.
Xiangquan Liu, Jiaqi Tang, Jinglun Yang, Helan Zhang, Yu Fang.
(2022)
Conformationally tunable calix[4]pyrrole-based nanofilms for efficient molecular separation. JOURNAL OF COLLOID AND INTERFACE SCIENCE,
610
(368).
9.
Jingjing Chen, Ruilong Li, Siyu Liu, Wenpeng Li, Jie Zhang, Xiaoli Wu, Jingtao Wang.
(2024)
Surfactant-assisted interfacial polymerization towards high-crystallinity COF membranes for organic solvent nanofiltration. JOURNAL OF MEMBRANE SCIENCE,
694
(122404).
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9 Citations
D2507689