4,5-dimethoxybenzene-1,2-diamine dihydrochloride - ≥95% , CAS No.131076-14-7

CAS: 131076-14-7 Cat. No.: D340396 Molecular Weight: 241.12 EC Number: 678-665-7 PubChem CID: 13000219

GRADE & PURITY ≥95%

Synonyms

1,2-Benzenediamine,4,5-dimethoxy-,hydrochloride(1:2) | 4,5-Dimethoxy-o-phenylenediamine dihydrochloride | 1,2-Benzenediamine, 4,5-dimethoxy-, dihydrochloride | 4,5-dimethoxybenzene-1,2-diamine 2HCl | J-005936 | 4,5-dimethoxybenzene-1,2-diamine;dihydrochlo

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

4,5-Dimethoxy-o-phenylenediamine dihydrochloride is used to prepare highly fluorescent benzimidazole derivatives by reacting with aldehydes. It is used for the detection of aromatic aldehydes and 2,2'-dithiobis(1-aminonaphthalene).

Specifications

Synonyms

1, 2-Benzenediamine, 4, 5-dimethoxy-, hydrochloride(1:2) | 4, 5-Dimethoxy-o-phenylenediamine dihydrochloride | 1, 2-Benzenediamine, 4, 5-dimethoxy-, dihydrochloride | 4, 5-dimethoxybenzene-1, 2-diamine 2HCl | J-005936 | 4, 5-dimethoxybenzene-1, 2-diamine;dihydrochlo

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504767303
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767303
• Canonical Smiles: COC1=C(C=C(C(=C1)N)N)OC.Cl.Cl
• IUPAC Name: 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride
• InChIKey: ORAAOAMEUMZGGU-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O2.2ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;;/h3-4H,9-10H2,1-2H3;2*1H
• Isomeric SMILES: COC1=C(C=C(C(=C1)N)N)OC.Cl.Cl
• Alternate CAS: 27841-33-4
• PubChem CID: 13000219
• Molecular Weight: 241.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: Soluble in warm methanol, dimethyl sulfoxide and water.
• Melt Point(°C): 266-268° C
• Molecular Weight: 241.110 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 240.043 Da
• Monoisotopic Mass: 240.043 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 127.000
• 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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