Grundinformationen
- CAS
4045-44-7- Standard-SMILES
CC1=C(C)C(C)C(C)=C1C- InChIKey
WQIQNKQYEUMPBM-UHFFFAOYSA-N- Summenformel
- C10H16
- Durchschnittliche Molmasse
- 136,23 g/mol
- Monoisotopische Masse
- 136,12520051
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,2,3,4,5-Pentamethylcyclopentadiene
- IUPAC
- 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
- Lokaler Name
- 1,2,3,4,5-Pentamethylcyclopentadien
- Englischer Name
- 1,2,3,4,5-Pentamethylcyclopentadiene
- Summenformel
- C10H16
- Molmasse
- 136.23
Namen und Synonyme
4045-44-71,2,3,4,5-Pentamethylcyclopentadiene1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-DSE3MRZ77CNSC-222823DTXSID00193466RefChem:410462DTXCID101159571,2,3,4,5-pentamethyl-cyclopentadiene223-743-41,2,3,4,5-pentamethylcyclopenta-1,3-dieneCyclopentadiene, 1,2,3,4,5-pentamethyl-
Weitere Namen anzeigen
PENTAMETHYLCYCLOPENTADIENEMCPTPMCPopentadiene1,2,3,4,5-PentamethyLPentamethycyclopentadienePENTAMETHYLCYCLOPENTADIENE 98+%Pentamethylcyclopentadiene,min.98%
1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneUNII-DSE3MRZ77CNSC222823WQIQNKQYEUMPBM-UHFFFAOYSA-AKOS0159506991,2,3,4,5-Pentamethylcyclopentadiene, 95%1,3-Cyclopentadiene, pentamethyl-AMY6945
Datenbank-Bezeichner
- CAS
4045-44-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 192
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
Physical DescriptionColorless or light yellow liquid with a mild odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Siedepunkt
- 58 °C13 · 58 °C13 mm Hg(lit.)
- Dichte
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.474(lit.)
- Flammpunkt
- 112 °F · 112 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid
- Wichte
- 0.87 · 0.87
- Farbe
- Clear colorless to yellow-orange, may darken on storage
- Wasserlöslichkeit
- Miscible with methanol. dichloromethane and ethyl acetate. Slightly miscible with water.
- BRN
- 1849832 · 1849832
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (98.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information1,2,3,4,5-Pentamethylcyclopentadiene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Cyclopentadiene and Methylcyclopentadiene.
Hazard Classes and CategoriesFlam. Liq. 3 (98.2%)
Sicherheitsdaten
- F
- 9-23
- wgk
- 3
- ridadr
- UN 3295 3/PG 3
- hs_code
- 29021990
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Anwendungen
Verwenden1,2,3,4,5-Pentamethylcyclopentadiene serves as a precursor to the ligand 1,2,3,4,5-pentamethylcyclopentadienyl. It is used as a growth modifier chemical, during metal organic chemical vapor deposition of iron from iron pentacarbonyl. It is used as a ligand in "one-pot" iridium-catalyzed transformation of alcohols to amides. Further, it acts as an electron mediator in the regeneration process of nicotinamide adenine dinucleotide. In addition to this, it undergoes radical cation catalyzed cycloaddition reaction with allenes to get Diels-Alder product.
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