Tris(4-iodophenyl)amine - ≥98% , CAS No.4181-20-8

CAS: 4181-20-8 Cat. No.: T101255 Fórmula: C₁₈H₁₂I₃N Peso molecular: 623.01 Número EC: 631-013-5 PubChem CID: 9809282

GRADE & PURITY ≥98%

Synonyms

C18H12I3N | SCHEMBL985323 | Trisiodophenylamine | SB66586 | Tris-(4-Iodophenyl)Amine | Tris(4-iodophenyl)amine | T1724 | DTXSID50430979 | A825662 | DS-16795 | MFCD01321198 | AKOS015853669 | 4-iodo-N,N-bis(4-iodophenyl)aniline | tris(p-iodophenyl)amine | F

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

C18H12I3N | SCHEMBL985323 | Trisiodophenylamine | SB66586 | Tris-(4-Iodophenyl)Amine | Tris(4-iodophenyl)amine | T1724 | DTXSID50430979 | A825662 | DS-16795 | MFCD01321198 | AKOS015853669 | 4-iodo-N,N-bis(4-iodophenyl)aniline | tris(p-iodophenyl)amine | F

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196309
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196309
• Sonrisas canónicas: C1=CC(=CC=C1N(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)I
• IUPAC Name: 4-iodo-N,N-bis(4-iodophenyl)aniline
• InChIKey: AQGZDWJFOYXGAA-UHFFFAOYSA-N
• INCHI: 1S/C18H12I3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
• Isómeros SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)I
• PubChem CID: 9809282
• Peso molecular: 623.01
• Reaxy-Rn: 2812662

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Iodobenzenes Aryl iodides Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organopnictogen compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene,dichloromethane
• Punto de fusión (°C): 186-189°C
• Peso molecular: 623.000 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 622.81 Da
• Monoisotopic Mass: 622.81 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 275.000
• 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

Referencias

1. Lamaocao Ma, Hengchang Ma.  (2019)  Synthesis of π-conjugated network polymers based on triphenylamine (TPA) and tetraphenylethylene (TPE) as building blocks via direct Pd-catalyzed reactions and their application in CO2 capture and explosive detection.  RSC Advances,  9  (32): (18098-18105).  [PMID:35515247] [10.1039/C9RA02469G]

2. Hengchang Ma, Manyi Yang, Shaoxiong Zhang, Pei Yin, Tao Wang, Yuan Yang, Ziqiang Lei, Yucheng Ma, Yanfang Qin, Zengming Yang.  (2018)  Two aggregation-induced emission (AIE)-active reaction-type probes: for real-time detecting and imaging of superoxide anions.  ANALYST,  144  (2): (536-542).  [PMID:30406221] [10.1039/C8AN01811A]

3. Hengchang Ma, Manyi Yang, Caili Zhang, Yucheng Ma, Yanfang Qin, Ziqiang Lei, Lu Chang, Lei Lei, Tao Wang, Yuan Yang.  (2017)  Aggregation-induced emission (AIE)-active fluorescent probes with multiple binding sites toward ATP sensing and live cell imaging.  Journal of Materials Chemistry B,  5  (43): (8525-8531).  [PMID:32264520] [10.1039/C7TB02399E]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4181-20-8, the molecular formula is C18H12I3N, and the molecular weight is 623.01 g/mol. InChIKey AQGZDWJFOYXGAA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.