4,4'-Diphenoxybenzophenone - ≥98% , CAS No.14984-21-5

CAS: 14984-21-5 Cat. No.: D694881 분자식: C₂₅H₁₈O₃ 분자량: 366.42

GRADE & PURITY ≥98%

Synonyms

4,4-Diphenoxybenzophenone

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4,4-Diphenoxybenzophenone

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528759417
• 정식 스마일: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
• IUPAC Name: bis(4-phenoxyphenyl)methanone
• InChIKey: BSILAEQTGTZMIW-UHFFFAOYSA-N
• INCHI: 1S/C25H18O3/c26-25(19-11-15-23(16-12-19)27-21-7-3-1-4-8-21)20-13-17-24(18-14-20)28-22-9-5-2-6-10-22/h1-18H
• 이성체 SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
• 분자량: 366.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Diphenylethers Aryl-phenylketones Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Diphenylether - Aryl-phenylketone - Diaryl ether - Phenoxy compound - Aryl ketone - Phenol ether - Benzoyl - Ketone - Ether - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• 감도: Moisture sensitive
• 분자량: 366.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 366.126 Da
• Monoisotopic Mass: 366.126 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 420.000
• 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