4-ACETIL-4′-ETILBIFENILO
- IUPAC Nombre：1-[4-(4-ethylphenyl)phenyl]ethanone
- CAS Registry Number: 5730-92-7
- Peso molecular：224.3
1. Nombres y Identificadores
- 1.1 Nombre del producto
- 4-ACETIL-4′-ETILBIFENILO
- 1.2 Sinónimos
4-ACETIL-4′-ETILBIFENILO
- 1.3 CAS Registry Number
- 5730-92-7
- 1.4 CID
- 15305867
- 1.5 Fórmula molecular
- C16H16O (isomer)
- 1.6 Inchi
- InChI=1S/C16H16O/c1-3-13-4-6-15(7-5-13)16-10-8-14(9-11-16)12(2)17/h4-11H,3H2,1-2H3
- 1.7 InchiKey
- JVHINSBYQLJNIW-UHFFFAOYSA-N
- 1.8 Canónico SMILES
- CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
- 1.9 Isómero SMILES
- CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
2. Propiedades
- 2.1 Densidad
- 1.023
- 2.2 Punto de Hierro
- 350.8°C at 760 mmHg
- 2.3 Índice refractivo
- 1.556
- 2.4 Punto de Flash
- 150.6°C
- 2.5 PSA
- 17.07000
- 2.6 logP
- 4.11860
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Árbol de objetos
5730-92-7Total: 5 Árbol de objetos
6. Precursores y productos
7. Datos químicos computacionales
- Peso molecular: 224.3g/mol
- Fórmula molecular: C16H16O
- Compound Is Canonicalized: True
- XLogP3-AA: 4
- Exact Mass: 224.120115130
- Monoisotopic Mass: 224.120115130
- Complexity: 242
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 17.1
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAAAAADASAmAAyAIAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==
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9. información real del producto
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