2,3,5,6-Tetramethyl-p-phenylenediamine - electronic grade, ≥99% metals basis , CAS No.3102-87-2

CAS: 3102-87-2 Cat. No.: T476349 Molecular Weight: 164.25 Beilstein Registry Number: 13(4)313 EC Number: 221-457-4 PubChem CID: 76548

GRADE & PURITY Electronic grade, ≥99% metals basis

Synonyms

MFCD00007905 | NSC 158251 | 2,3,5,6-tetramethyl-benzene-1,4-diamine | 2,3,5,6-tetramethylbenzene-1,4-diamine | BIDD:GT0490 | UNII-8875RHZ1MM | SCHEMBL263364 | Diaminodurene | Diethyl(2-ethylaminoethyl)amine | p-Chlorobenzyl amine | CCRIS 8123 | 1,4-diamin

Storage

Room temperature

Overview

Description

Monomer used in the preparation of polyimide coatings for electronic applications-IC passivation, dielectric for multichip modules, and as a stress relief layer in sensor applications.

Specifications

Synonyms

MFCD00007905 | NSC 158251 | 2, 3, 5, 6-tetramethyl-benzene-1, 4-diamine | 2, 3, 5, 6-tetramethylbenzene-1, 4-diamine | BIDD:GT0490 | UNII-8875RHZ1MM | SCHEMBL263364 | Diaminodurene | Diethyl(2-ethylaminoethyl)amine | p-Chlorobenzyl amine | CCRIS 8123 | 1, 4-diamin

Specifications & Purity

electronic grade, ≥99% metals basis

Storage

Room temperature

Grade

Electronic grade

Purity

≥99% metals basis

Names and Identifiers

• Canonical Smiles: CC1=C(C(=C(C(=C1N)C)C)N)C
• IUPAC Name: 2,3,5,6-tetramethylbenzene-1,4-diamine
• InChIKey: WCZNKVPCIFMXEQ-UHFFFAOYSA-N
• INCHI: 1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
• Isomeric SMILES: CC1=C(C(=C(C(=C1N)C)C)N)C
• RTECS: CZ1599700
• PubChem CID: 76548
• Molecular Weight: 164.25
• Beilstein: 13(4)313
• Reaxy-Rn: 2208743

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines
        • Level5 Phenylenediamines
          • Level6 P-phenylenediamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Phenylenediamines
• Direct Parent: P-phenylenediamines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-phenylenediamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-phenylenediamines. These are aromatic compound containing a benzene ring which carries 2 amino groups, at the 1- and 4-positions.
• 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

• Melt Point(°C): 152℃
• Molecular Weight: 164.250 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.131 Da
• Monoisotopic Mass: 164.131 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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. Ke Chen, Linhan Ni, Hao Zhang, Jia Xie, Xin Yan, Saisai Chen, Junwen Qi, Chaohai Wang, Xiuyun Sun, Jiansheng Li.  (2021)  Veiled metal organic frameworks nanofillers for mixed matrix membranes with enhanced CO2/CH4 separation performance.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2021.119707]

2. Lingyu Liu, Qixuan Li, Luxin Sun, Aqib Riaz, Jianxin Li, Yingge Wang, Ingo Pinnau, Xiaohua Ma.  (2024)  Ultrahigh He enrichment property of carbon molecular sieve membranes by direct fluorination.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.123647]