1,2-Phenylenediamine Sulfate - ≥97%(T) , CAS No.74710-09-1

CAS: 74710-09-1 Cat. No.: P160473 Molecular Weight: 206.22 EC Number: 679-671-2 PubChem CID: 44630426

GRADE & PURITY ≥97%(T)

Synonyms

benzene-1,2-diamine;sulfuric acid | AKOS016368783 | phenylenediamine sulfate | P0173 | SCHEMBL147075 | ZCA71009 | D91918 | benzene-1,2-diamine; sulfuric acid | 1,2-Diaminobenzene Sulfate | MFCD00054335 | 1,2-Phenylenediamine Sulfate | FT-0606482 | A838202

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

benzene-1, 2-diamine;sulfuric acid | AKOS016368783 | phenylenediamine sulfate | P0173 | SCHEMBL147075 | ZCA71009 | D91918 | benzene-1, 2-diamine; sulfuric acid | 1, 2-Diaminobenzene Sulfate | MFCD00054335 | 1, 2-Phenylenediamine Sulfate | FT-0606482 | A838202

Specifications & Purity

≥97%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)N)N.OS(=O)(=O)O
• IUPAC Name: benzene-1,2-diamine;sulfuric acid
• InChIKey: URGXGBOBXYFSAF-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2.H2O4S/c7-5-3-1-2-4-6(5)8;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=CC=C(C(=C1)N)N.OS(=O)(=O)O
• PubChem CID: 44630426
• Molecular Weight: 206.22
• Reaxy-Rn: 5413696

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: Organic sulfate salts Organic sulfuric acids and derivatives Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic sulfate salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Organic cation - Aromatic homomonocyclic 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: Light Sensitive
• Molecular Weight: 206.220 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 206.036 Da
• Monoisotopic Mass: 206.036 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 144.000
• 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: 2

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