Aniline sulfate - AR, ≥99% , CAS No.542-16-5

CAS: 542-16-5 Cat. No.: A108448 Summenformel: C₁₂H₁₄N₂·H₂SO₄ Molekulargewicht: 284.33 Beilstein Registry Number: 3729533 EG-Nummer: 208-805-0

GRADE & PURITY AR, ≥99%

Synonyms

Aniline hemisulfate | UNII-3BM77321CW | ANILINE HEMISULFATE [MI] | AS-10318 | ANILINE HEMISULPHATE | aniline;sulfuric acid | EINECS 208-805-0 | Aniline sulfate salt | Dianilinium sulphate | 3BM77321CW | BENZENAMINE, SULPHATE (2:1) | AKOS015888381 | Benzen

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

Aniline hemisulfate | UNII-3BM77321CW | ANILINE HEMISULFATE [MI] | AS-10318 | ANILINE HEMISULPHATE | aniline;sulfuric acid | EINECS 208-805-0 | Aniline sulfate salt | Dianilinium sulphate | 3BM77321CW | BENZENAMINE, SULPHATE (2:1) | AKOS015888381 | Benzen

Spezifikationen & Reinheit

AR, ≥99%

Storage

Protected from light,Room temperature

Verschickt in

FedEx DG Service

Note

AR

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488181230

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181230

Kanonisches Lächeln

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)

Isomere SMILES

C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O

WGK Deutschland

3

UN-Nummer

2811

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Siedepunkt (°C): 400～401°C
• Schmelzpunkt (°C): 128°C
• Molekulargewicht: 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