4,4′-Diformyltriphenylamine - ≥95% , CAS No.53566-95-3

CAS: 53566-95-3 Cat. No.: D121326 분자식: C₂₀H₁₅NO₂ 분자량: 301.34 EC 번호: 624-713-7

등급 & 순도 ≥95%

Synonyms

B2843 | C75509 | 4,4'-Diformyltriphenylamine, 95% | Bis(4-formylphenyl)phenylamine (purified by sublimation) | 4-(N-(4-formylphenyl)anilino)benzaldehyde | Bis(4-formylphenyl)phenylamine | 4-[4-formyl(phenyl)anilino]benzaldehyde | AK-249/40652631 | 4,4'-(p

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

동의어

B2843 | C75509 | 4,4'-Diformyltriphenylamine, 95% | Bis(4-formylphenyl)phenylamine (purified by sublimation) | 4-(N-(4-formylphenyl)anilino)benzaldehyde | Bis(4-formylphenyl)phenylamine | 4-[4-formyl(phenyl)anilino]benzaldehyde | AK-249/40652631 | 4,4'-(p

사양 및 순도

≥95%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

504760218

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760218

정식 스마일

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O

IUPAC Name

4-(N-(4-formylphenyl)anilino)benzaldehyde

InChIKey

DOUAFMIJGIUWJX-UHFFFAOYSA-N

INCHI

1S/C20H15NO2/c22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20/h1-15H

이성체 SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O

WGK 독일

3

분자량

301.34

Reaxy-Rn

2985508

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2985508&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Benzoyl - Benzaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Toluene
• 감도: air sensitive
• 녹는점(°C): 140-145°C
• 분자량: 301.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 301.11 Da
• Monoisotopic Mass: 301.11 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 347.000
• 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