2,5-Dimethoxyaniline - ≥97% , CAS No.102-56-7

CAS: 102-56-7 Cat. No.: D111647 Molecular Weight: 153.18 Beilstein Registry Number: 776823 EC Number: 203-040-9

GRADE & PURITY ≥97%

Synonyms

Aniline, 2,5-dimethoxy- | SMR000063286 | 2,5-Dimethoxybenzenamine | SCHEMBL92071 | D1893 | PS-3249 | Benzenamine, 2,5-dimethoxy- | BRN 0776823 | WLN: 1OR BZ DO1 | BDBM55250 | V3Z5U3FL10 | EN300-33970 | MLS000053359 | (2,5-dimethoxyphenyl)amine;hydrochlori

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

2,5-Dimethoxyaniline is used as a laccase inducer which immobilizes the enzyme laccase from Trumetes versicolor. 2,5-Dimethoxyaniline is used for the electrochemical copolymerization of diphenylamine in 4M sulfuric acid.

Specifications

Synonyms

Aniline, 2, 5-dimethoxy- | SMR000063286 | 2, 5-Dimethoxybenzenamine | SCHEMBL92071 | D1893 | PS-3249 | Benzenamine, 2, 5-dimethoxy- | BRN 0776823 | WLN: 1OR BZ DO1 | BDBM55250 | V3Z5U3FL10 | EN300-33970 | MLS000053359 | (2, 5-dimethoxyphenyl)amine;hydrochlori

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751407
• Canonical Smiles: COC1=CC(=C(C=C1)OC)N
• IUPAC Name: 2,5-dimethoxyaniline
• InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)OC)N
• WGK Germany: 1
• RTECS: BX4375000
• UN Number: 2811
• Molecular Weight: 153.18
• Beilstein: 776823
• Reaxy-Rn: 776823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=776823&ln=

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 Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - 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 water, ethanol, methanol, heat ligroin.
• Sensitivity: Light sensitive. air sensitive
• Flash Point(°F): 266 °F
• Flash Point(°C): 130℃
• Boil Point(°C): 270°C
• Melt Point(°C): 79-81°C
• Molecular Weight: 153.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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: 1

References

1. Yuxiao Chu, Yuxin Yang, Haihui Lin, Zilong Zhang, Shilong Chang, Cuihong Zhang, Peng Zhang, Lei Dong, Fu-Gang Zhao, Xiao-Jin Wu, Jian Chen, Yongmiao Shen.  (2024)  Heterogeneous polymer of aniline and benzoquinone enabled high energy density of graphene-based supercapacitors.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.112906]

2. Yuxin Yang, Shilong Chang, Jialei Bao, Lei Dong, Yongmiao Shen, Fu-Gang Zhao.  (2025)  Organic functionalization upgrading ordinary adsorption-type activated carbon for high-performance supercapacitors.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.181323]