4-(5-Chloro-2-pyridylazo)-1,3-phenylenediamine [for Colorimetric Analysis of Co, Cd] - ≥99%(T) , CAS No.33006-91-6

CAS: 33006-91-6 Cat. No.: C138681 Molecular Weight: 247.69 EC Number: 251-334-0

GRADE & PURITY ≥99%(T)

Synonyms

4-(5-Chloro-2-pyridylazo)-m-phenylenediamine | WLNTVTDTBKPTCA-WUKNDPDISA-N | SCHEMBL12805490 | MFCD00059781 | 4-[(1E)-2-(5-chloropyridin-2-yl)diazen-1-yl]benzene-1,3-diamine | 4-[(5-chloro-2-pyridyl)azo]-1,3-diaminobenzene | 4-[(5-chloropyridin-2-yl)diaze

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-(5-Chloro-2-pyridylazo)-m-phenylenediamine | WLNTVTDTBKPTCA-WUKNDPDISA-N | SCHEMBL12805490 | MFCD00059781 | 4-[(1E)-2-(5-chloropyridin-2-yl)diazen-1-yl]benzene-1, 3-diamine | 4-[(5-chloro-2-pyridyl)azo]-1, 3-diaminobenzene | 4-[(5-chloropyridin-2-yl)diaze

Specifications & Purity

≥99%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 504756780
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756780
• Canonical Smiles: C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Cl
• IUPAC Name: 4-[(5-chloropyridin-2-yl)diazenyl]benzene-1,3-diamine
• InChIKey: WLNTVTDTBKPTCA-UHFFFAOYSA-N
• INCHI: 1S/C11H10ClN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2
• Isomeric SMILES: C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Cl
• Molecular Weight: 247.69
• Reaxy-Rn: 7814698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7814698&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: Air sensitive
• Molecular Weight: 247.680 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 247.062 Da
• Monoisotopic Mass: 247.062 Da
• Topological Polar Surface Area: 89.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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. Xianhong Zheng, Ying Zhang, Zongqian Wang, Yingfeng Wang, Lihua Zou, Xiaoshuang Zhou, Shiting Hong, Lan Yao, Changlong Li.  (2020)  Highly effective antibacterial zeolitic imidazolate framework-67/alginate fibers.  NANOTECHNOLOGY,  31  (37): (375707).  [PMID:32464616] [10.1088/1361-6528/ab978a]

2. Zhuang S. T., Yin Y. N., Wang J. L..  (2017)  Simultaneous detection and removal of cobalt ions from aqueous solution by modified chitosan beads.  International Journal of Environmental Science and Technology,  15  (2): (385-394).  [PMID:] [10.1007/s13762-017-1388-x]

3. Shuting Zhuang, Jianlong Wang.  (2017)  Modified alginate beads as biosensor and biosorbent for simultaneous detection and removal of cobalt ions from aqueous solution.  Environmental Progress & Sustainable Energy,  37  (1): (260-266).  [PMID:] [10.1002/ep.12666]