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

CAS: 131076-14-7 Cat. No.: D340396 Peso molecular: 241.12 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504767303
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767303
• Sonrisas canónicas: 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
• Isómeros SMILES: COC1=C(C=C(C(=C1)N)N)OC.Cl.Cl
• CAS alternativo: 27841-33-4
• PubChem CID: 13000219
• Peso molecular: 241.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in warm methanol, dimethyl sulfoxide and water.
• Punto de fusión (°C): 266-268° C
• Peso molecular: 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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