Chlorophosphonazo Ⅲ - chromogenic agent, used for Chlorophosphonazo III was used as a chromogenic agent along with PVC, during the determination of calcium via a disposable optical sensor. various applications , CAS No.1914-99-4

CAS: 1914-99-4 Cat. No.: C100307 Molecular Weight: 757.36 Beilstein Registry Number: 2934871 EC Number: 217-628-8

GRADE & PURITY Chromogenic agent

Synonyms

2,7-Naphthalenedisulfonic acid, 3,6-bis[(4-chloro-2-phosphonophenyl)azo]-4,5-dihydroxy- | SCHEMBL8649065 | CHLOROPHOSPHONAZOIII | EINECS 217-628-8 | 2,7-Naphthalenedisulfonic acid, 3,6-bis((4-chloro-2-phosphonophenyl)azo)-4,5-dihydroxy- | 3,6-bis((E)-(4-c

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Chlorophosphonazo III is a highly sensitive reagent and can be used for the spectrophotometric determination of zirconium, titanium, thorium and scandium. It also finds application as an extractant, along with 1-butanol as solvent, for determination of micromolar concentrations of Nd(III), Th(IV) and U(VI) in brine. Above all that, it has two long wavelength maxima, one at 620 nm and one at 680 nm

Specifications

Synonyms

2, 7-Naphthalenedisulfonic acid, 3, 6-bis[(4-chloro-2-phosphonophenyl)azo]-4, 5-dihydroxy- | SCHEMBL8649065 | CHLOROPHOSPHONAZOIII | EINECS 217-628-8 | 2, 7-Naphthalenedisulfonic acid, 3, 6-bis((4-chloro-2-phosphonophenyl)azo)-4, 5-dihydroxy- | 3, 6-bis((E)-(4-c

Specifications & Purity

chromogenic agent

Application

Chlorophosphonazo III was used as a chromogenic agent along with PVC, during the determination of calcium via a disposable optical sensor.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Chromogenic agent

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1Cl)P(=O)(O)O)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)Cl)P(=O)(O)O)O)O
• IUPAC Name: 3,6-bis[(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
• InChIKey: LMBABJNSZGKTBA-UHFFFAOYSA-N
• INCHI: 1S/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)
• Isomeric SMILES: C1=CC(=C(C=C1Cl)P(=O)(O)O)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)Cl)P(=O)(O)O)O)O
• WGK Germany: 3
• Molecular Weight: 757.36
• Beilstein: 2934871
• Reaxy-Rn: 2934871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2934871&ln=

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 Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Sulfonyls Organosulfonic acids Organic phosphonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organophosphonic acid derivative - Organophosphonic acid - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 757.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 755.896 Da
• Monoisotopic Mass: 755.896 Da
• Topological Polar Surface Area: 330.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1380.000
• 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

References

1. Juan Li, Jin Wang, Wei Wang, Xuetong Zhang.  (2019)  Symbiotic Aerogel Fibers Made via In-Situ Gelation of Aramid Nanofibers with Polyamidoxime for Uranium Extraction.  MOLECULES,  24  (9): (1821).  [PMID:31083542] [10.3390/molecules24091821]

2. Jiayi Huang, Yi Hou, Tiancong Ma, Peisen Zhang, Yingying Li, Chunyan Liu, Boyuan Zhang, Shanshan Qiu, Jianfeng Zeng, Mingyuan Gao.  (2018)  A Novel Histochemical Staining Approach for Rare-Earth-Based Nanoprobes.  Advanced Therapeutics,  1  (1): (1800005).  [PMID:] [10.1002/adtp.201800005]