Aniline sulfate - ≥97% , CAS No.542-16-5

CAS: 542-16-5 Cat. No.: A1526048 Molecular Weight: 284.33 Beilstein Registry Number: 3729533 EC Number: 208-805-0

GRADE & PURITY ≥97%

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O
• IUPAC Name: aniline;sulfuric acid
• InChIKey: FUKMEFZGEMVGLD-UHFFFAOYSA-N
• INCHI: 1S/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O
• WGK Germany: 3
• UN Number: 2811
• Molecular Weight: 284.33
• Beilstein: 3729533
• Reaxy-Rn: 3917530
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917530&ln=

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: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aniline or substituted anilines - 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 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: Light sensitive.
• Boil Point(°C): 400～401°C
• Melt Point(°C): 128°C
• Molecular Weight: 284.330 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 284.083 Da
• Monoisotopic Mass: 284.083 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 19
• 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

XLogP3

References

1. Huang Jiali, Dong Ruirui, Habibul Marhaba, Zhang Yanhui, Guan Ming, Li Guixin.  (2023)  An electrochemiluminescence aptasensor based on poly(aniline-luminol)/graphene oxide/chitosan for ultra-sensitive detection of Hg2+.  POLYMER BULLETIN,      [PMID:] [10.1007/s00289-023-04687-8]

2. Ruirui Dong, Yanhui Zhang, Jiali Huang, Marhaba Habibul, Guixin Li.  (2022)  Electrochemiluminescence DNA Biosensor for HBV Based on Coralloid Poly(Aniline-Luminol)-MWCNTs and Catalysis of Ferrocene.  ELECTROANALYSIS,  34  (10): (1555-1563).  [PMID:] [10.1002/elan.202200020]

3. Wei Lu, Zhang Yanhui, Eziz Nurguzal, Yang Yaru, Li Guixin, Guan Ming.  (2019)  An ultrasensitive electrochemiluminescence immunosensor for alpha-fetoprotein based on a poly(aniline-luminol)/graphene oxide nanocomposite.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (20): (5175-5186).  [PMID:31187200] [10.1007/s00216-019-01897-w]

4. Yaru Yang, Yanhui Zhang, Lu Wei, Guixin Li, Ming Guan, Shuge Tian.  (2019)  A Highly Sensitive Electrochemiluminescence Choline Biosensor Based on Poly(aniline-luminol-hemin) Nanocomposites.  ELECTROANALYSIS,  31  (4): (624-631).  [PMID:] [10.1002/elan.201800582]

5. Xinxing Zhou, Yunzhi Xu, Xiaojie Mei, Ningjie Du, Rongmao Jv, Zhaoxia Hu, Shouwen Chen.  (2018)  Polyaniline/β-MnO2 nanocomposites as cathode electrocatalyst for oxygen reduction reaction in microbial fuel cells.  CHEMOSPHERE,      [PMID:29427950] [10.1016/j.chemosphere.2018.01.058]

6. Jiali Ju, Qiaoyu Ding, Jianwei Xie, Guixin Li.  (2024)  Label-free electrochemiluminescence immunosensor for mucoprotein 1 using a graphene oxide-Ru(Bpy)32+-polyaniline nanocomposite.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2023.2209679]