6-(Dimethylamino)fulvene
Grundinformationen
- CAS
696-68-4- Standard-SMILES
CN(C)C=C1C=CC=C1- InChIKey
UJXXVGXQTXQALL-UHFFFAOYSA-N- Summenformel
- C8H11N
- Durchschnittliche Molmasse
- 121,18 g/mol
- Monoisotopische Masse
- 121,08914935
Namen und Bezeichner
- Bevorzugter Name
- 6-(Dimethylamino)fulvene
- IUPAC
- 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine
- Englischer Name
- 5-(DIMETHYLAMINOMETHYLENE)-1,3-CYCLOPENTADIENE
- Summenformel
- C8H11N
- Molmasse
- 121.18
Namen und Synonyme
6-(Dimethylamino)fulvene696-68-4Methanamine, 1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-N8V3WI850KNSC 55886NSC-55886UNII-N8V3WI850KDTXSID202198742,4-Cyclopentadiene-.DELTA.1,.alpha.-methylamine, N,N-dimethyl-6-(DIMETHYLAMINO)PENTAFULVENE1-(2,4-Cyclopentadien-1-ylidene)-N,N-dimethylmethanamineRefChem:104086
Weitere Namen anzeigen
5-(DAIDS051095SPECS AO-840/407680316-(Dimethylamino)fulvene>15N3]-L-Histidine HCl H2O (<6-(N,N-Dimethylamino)pentafulvene[2-13C]-L-Histidine HCl H2O (<5-(DIMETHYLAMINOMETHYLENE)-1,3-CYCLOPENTADIENEDimethyl(2,4-cyclopentadienylidenemethyl)amine
DTXCID701423652,4-Cyclopentadiene-delta1,alpha-methylamine, N,N-dimethyl-621-012-8UJXXVGXQTXQALL-UHFFFAOYSA-N1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine5-(Dimethylaminomethylene)-1,3-cyclopentadieneNSC55886
Datenbank-Bezeichner
- CAS
696-68-4- PubChem CID
- 136523
- DTXSID
DTXSID20219874- UNII
- N8V3WI850K
- EC Number
- 621-012-8
- Nikkaji
- J150.486J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 3,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 159
Physikochemische Eigenschaften
- Schmelzpunkt
- 64 · 64-66 °C (lit.)
- Siedepunkt
- 205.3 · 205.3±9.0 °C(Predicted)
- Dichte
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.25 · 6.25±0.20(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- Light yellow to Brown to Dark green
- InChI
- 1S/C8H11N/c1-9(2)7-8-5-3-4-6-8/h3-7H,1-2H3
- InChIKey
- UJXXVGXQTXQALL-UHFFFAOYSA-N
- SMILES
- CN(C)\C=C1/C=CC=C1
- CAS Datenbank
- 696 · 696-68-4
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2921199990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden6-(Dimethylamino)fulvene was used in the synthesis of chiral cyclopentadienyllithiums substituted with an N,N-dimethylamino(aryl)methyl group.
Darstellung
synthetische6-(Dimethylamino)fulvene may be conveniently prepared by the reaction of cyclopentadienylsodium with N,N-Dimethylformamide-Dimethyl Sulfate. Alternatively, cyclopentadiene has been condensed with N,N-Dimethylformamide Diethyl Acetal.
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