p-Phenylenediamine sulfate - ≥98% , CAS No.16245-77-5

CAS: 16245-77-5 Cat. No.: p115806 Molecular Weight: 206.22 EC Number: 240-357-1 PubChem CID: 27769

GRADE & PURITY ≥98%

Synonyms

W-107960 | DTXSID6066028 | FT-0722799 | UNII-S7IGM30961 | benzene-1,4-diamine; sulfuric acid | p-Phenylenediamine sulfate | BS-42135 | Q27288781 | EINECS 240-357-1 | 1,4-Diaminebenzene sulfate | P0175 | 1,4-BENZENEDIAMINE SULFATE | 1,4-Phenylenediamine Su

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

W-107960 | DTXSID6066028 | FT-0722799 | UNII-S7IGM30961 | benzene-1, 4-diamine; sulfuric acid | p-Phenylenediamine sulfate | BS-42135 | Q27288781 | EINECS 240-357-1 | 1, 4-Diaminebenzene sulfate | P0175 | 1, 4-BENZENEDIAMINE SULFATE | 1, 4-Phenylenediamine Su

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1N)N.OS(=O)(=O)O
• IUPAC Name: benzene-1,4-diamine;sulfuric acid
• InChIKey: UFPKLWVNKAMAPE-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2.H2O4S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=CC(=CC=C1N)N.OS(=O)(=O)O
• PubChem CID: 27769
• UN Number: 2811
• Molecular Weight: 206.22
• Reaxy-Rn: 3918557

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: Organic sulfuric acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Sulfuric acid - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

• Sensitivity: Hygroscopic；light sensitive
• Molecular Weight: 206.220 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 206.036 Da
• Monoisotopic Mass: 206.036 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 136.000
• 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: 2

XLogP3

References

1. Hao Lu, Hanyu Feng, Yang Zhou, Huidong Qiu.  (2023)  Synthesis of phytic acid doped trimer aniline/graphene oxide waterborne coatings for cooperatively enhanced corrosion protection in 3.5 % NaCl solution.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.108186]

2. Mingjun Cui, Siming Ren, Songlv Qin, Qunji Xue, Haichao Zhao, Liping Wang.  (2017)  Non-covalent functionalized hexagonal boron nitride nanoplatelets to improve corrosion and wear resistance of epoxy coatings.  RSC Advances,  7  (70): (44043-44053).  [PMID:] [10.1039/C7RA06835B]

3. Songlv Qin, Cheng Chen, Mingjun Cui, Afang Zhang, Haichao Zhao, Liping Wang.  (2017)  Facile preparation of polyimide/graphene nanocomposites via an in situ polymerization approach.  RSC Advances,  7  (5): (3003-3011).  [PMID:] [10.1039/C6RA25168D]

4. Chen Bin, Chen Jia, Li Jing-yu, Tong Xin, Zhao Hai-chao, Wang Li-ping.  (2017)  Oligoaniline assisted dispersion of carbon nanotubes in epoxy matrix for achieving the nanocomposites with enhanced mechanical, thermal and tribological properties.  CHINESE JOURNAL OF POLYMER SCIENCE,  35  (3): (446-454).  [PMID:] [10.1007/s10118-017-1911-z]

5. Mingjun Cui, Siming Ren, Jia Chen, Shuan Liu, Guangan Zhang, Haichao Zhao, Liping Wang, Qunji Xue.  (2016)  Anticorrosive performance of waterborne epoxy coatings containing water-dispersible hexagonal boron nitride (h-BN) nanosheets.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2016.11.141]

6. Lin Gu, Shuan Liu, Haichao Zhao, Haibin Yu.  (2015)  Facile Preparation of Water-Dispersible Graphene Sheets Stabilized by Carboxylated Oligoanilines and Their Anticorrosion Coatings.  ACS Applied Materials & Interfaces,      [PMID:26183290] [10.1021/acsami.5b05531]

7. Yuanyuan Yu, Zhen Yu, Linbin Zhu, Junfeng Niu, Hua Yin, Chang He, Jianteng Sun, Shaoyu Tang, Zhi Dang.  (2026)  Phytocatalytic Redox Cycling of Tire-Derived p-Phenylenediamines: A Hidden Driver for Quinone Metabolite Formation in Rice.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41486886] [10.1021/acs.jafc.5c09788]