6-Amino-1-naphthalenesulfonic Acid - ≥96% , CAS No.81-05-0

CAS: 81-05-0 Cat. No.: A137050 Molecular Weight: 223.25 Beilstein Registry Number: 14(3)2245 EC Number: 201-318-4

GRADE & PURITY ≥96%

Synonyms

W-104220 | SY050719 | AC-14167 | 6-Amino-1-naphthalenesulfonic acid | 6-Amino-1-naphthalenesulfonic acid, AldrichCPR | EINECS 201-318-4 | 6-NAPHTHYLAMINE-1-SULFONIC ACID | DTXSID10230836 | A840028 | H11791 | Dahl's Acid | 6-aminonaphthalene-1-sulfonic aci

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

A product for proteomics research

Specifications

Synonyms

W-104220 | SY050719 | AC-14167 | 6-Amino-1-naphthalenesulfonic acid | 6-Amino-1-naphthalenesulfonic acid, AldrichCPR | EINECS 201-318-4 | 6-NAPHTHYLAMINE-1-SULFONIC ACID | DTXSID10230836 | A840028 | H11791 | Dahl's Acid | 6-aminonaphthalene-1-sulfonic aci

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488183794
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183794
• Canonical Smiles: C1=CC2=C(C=CC(=C2)N)C(=C1)S(=O)(=O)O
• IUPAC Name: 6-aminonaphthalene-1-sulfonic acid
• InChIKey: YUNBHHWDQDGWHC-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO3S/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)N)C(=C1)S(=O)(=O)O
• Molecular Weight: 223.25
• Beilstein: 14(3)2245
• Reaxy-Rn: 2695332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695332&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-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: Light sensitive
• Boil Point(°C): 434.16 °C
• Melt Point(°C): 173.38°C
• Molecular Weight: 223.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.03 Da
• Monoisotopic Mass: 223.03 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 322.000
• 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. Zhigang Liu, Shihua Yu, Shuping Xu, Bing Zhao, Weiqing Xu.  (2017)  Ultrasensitive Detection of Capsaicin in Oil for Fast Identification of Illegal Cooking Oil by SERRS.  ACS Omega,      [PMID:31457378] [10.1021/acsomega.7b01457]