Fast Red B Salt 1,5-Naphthalenedisulfonate [for Biochemical Research] - ≥97%(HPLC) , CAS No.61925-55-1

CAS: 61925-55-1 Cat. No.: F156772 Molecular Weight: 646.56 Beilstein Registry Number: 16(2)287 EC Number: 263-324-3

GRADE & PURITY ≥97%(HPLC)

Synonyms

61925-55-1|Benzenediazonium, 2-methoxy-4-nitro-, 1,5-naphthalenedisulfonate (2:1)|Fast Red B Salt 1,5-Naphthalenedisulfonate|2-methoxy-4-nitrobenzenediazonium;naphthalene-1,5-disulfonate|Diazol rose O|Bis(2-methoxy-4-nitrophenyldiazonium) 1,5-Naphthalened

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

61925-55-1 | Benzenediazonium, 2-methoxy-4-nitro-, 1, 5-naphthalenedisulfonate (2:1) | Fast Red B Salt 1, 5-Naphthalenedisulfonate | 2-methoxy-4-nitrobenzenediazonium;naphthalene-1, 5-disulfonate | Diazol rose O | Bis(2-methoxy-4-nitrophenyldiazonium) 1, 5-Naphthalened

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488188242
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188242
• Canonical Smiles: COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
• IUPAC Name: 2-methoxy-4-nitrobenzenediazonium;naphthalene-1,5-disulfonate
• InChIKey: NBJGTSKKWFZFEJ-UHFFFAOYSA-L
• INCHI: 1S/C10H8O6S2.2C7H6N3O3/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2
• Isomeric SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
• Molecular Weight: 646.56
• Beilstein: 16(2)287
• Reaxy-Rn: 53958948
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53958948&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 Nitrophenyl ethers 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Organic diazonium salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Nitrophenyl ether - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Arylsulfonic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - C-nitro compound - Organic diazonium salt - Organic nitro compound - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen 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

• Molecular Weight: 646.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 2
• Exact Mass: 646.042 Da
• Monoisotopic Mass: 646.042 Da
• Topological Polar Surface Area: 298.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 664.000
• 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

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