1,2,4-Triaminobenzene Dihydrochloride - ≥95% , CAS No.615-47-4

CAS: 615-47-4 Cat. No.: T162209 Molecular Weight: 196.08 EC Number: 210-428-1

GRADE & PURITY ≥95%

Synonyms

1,2,4-Benzenetriamine dihydrochloride | 1,2,4-Triaminobenzene dihydrochloride | Benzene-1,2,4-triaminedihydrochloride | benzene-1,2,4-triamine;dihydrochloride | 1,2,4-Triaminobenzene DiHCl | benzene-1,2,4-triamine dihydrochloride | 1,2,4-Benzenetriamine,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Specifications

Synonyms

1, 2, 4-Benzenetriamine dihydrochloride | 1, 2, 4-Triaminobenzene dihydrochloride | Benzene-1, 2, 4-triaminedihydrochloride | benzene-1, 2, 4-triamine;dihydrochloride | 1, 2, 4-Triaminobenzene DiHCl | benzene-1, 2, 4-triamine dihydrochloride | 1, 2, 4-Benzenetriamine,

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186812
• Canonical Smiles: C1=CC(=C(C=C1N)N)N.Cl.Cl
• IUPAC Name: benzene-1,2,4-triamine;dihydrochloride
• InChIKey: RKMFFOLUBJFMBQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3.2ClH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H,7-9H2;2*1H
• Isomeric SMILES: C1=CC(=C(C=C1N)N)N.Cl.Cl
• RTECS: DC1953000
• Alternate CAS: 615-71-4
• Molecular Weight: 196.08
• Reaxy-Rn: 3694839

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: Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - 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

• Solubility: Slightly soluble in water.
• Sensitivity: Air & Moisture Sensitive
• Melt Point(°C): 290℃
• Molecular Weight: 196.070 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 195.033 Da
• Monoisotopic Mass: 195.033 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 94.300
• 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

References

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