5-Bromo-PAPS - ≥95% , CAS No.679787-08-7

CAS: 679787-08-7 Cat. No.: B331155 Formula: C₁₇H₁₉BrN₄Na₂O₄S·2H₂O Peso molecolare: 537.34 PubChem CID: 15639883

GRADE & PURITY ≥95%

Synonyms

disodium;3-[4-[(5-bromopyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate | 5-Bromo-PAPS | Disodium 3-[{4-[(E)-(5-bromopyridin-2-yl)diazenyl]-3-oxidophenyl}(propyl)amino]propane-1-sulfonate | 2-(5-bromo-2-pyridylazo)-5-[N-propyl-N-(3-sulfo

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Application：

2-(5-Bromo-2-pyridylazo)-5-[N-propyl-N-(3-sulfopropyl)amino]phenol disodium salt dihydrate may be used as a reagent for the determination of copper and iron by flow injection-catalytic photometric method using serial flow cell.

Specifications

Sinonimi

disodium;3-[4-[(5-bromopyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate | 5-Bromo-PAPS | Disodium 3-[{4-[(E)-(5-bromopyridin-2-yl)diazenyl]-3-oxidophenyl}(propyl)amino]propane-1-sulfonate | 2-(5-bromo-2-pyridylazo)-5-[N-propyl-N-(3-sulfo

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504767923
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767923
• Sorrisi canonici: CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)[O-].[Na+].[Na+]
• IUPAC Name: disodium;3-[4-[(5-bromopyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate
• InChIKey: AZQQDIOTZJGZJL-UHFFFAOYSA-L
• INCHI: 1S/C17H21BrN4O4S.2Na/c1-2-8-22(9-3-10-27(24,25)26)14-5-6-15(16(23)11-14)20-21-17-7-4-13(18)12-19-17;;/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,24,25,26);;/q;2*+1/p-2
• Isomeri SMILES: CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)[O-].[Na+].[Na+]
• PubChem CID: 15639883
• Peso molecolare: 537.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Phenoxides Pyridines and derivatives Aryl bromides Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Azo compounds Organic metal halides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organobromides Organooxygen compounds Organic sodium salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Phenoxide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organic metal halide - Organic oxygen compound - Organic zwitterion - Organic salt - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 501.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 500.011 Da
• Monoisotopic Mass: 500.011 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 558.000
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 679787-08-7, the molecular formula is C17H19BrN4Na2O4S·2H2O, and the molecular weight is 537.34 g/mol. InChIKey AZQQDIOTZJGZJL-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.