1,3-Cyclopentadiene, 5-(1-methylethylidene)-

HCID 137467CAS 2175-91-9

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Grundinformationen

Standard-SMILES: CC(C)=C1C=CC=C1
InChIKey: WXACXMWYHXOSIX-UHFFFAOYSA-N
Summenformel: C8H10
Durchschnittliche Molmasse: 106,16 g/mol
Monoisotopische Masse: 106,07825032

Namen und Bezeichner

Bevorzugter Name: 1,3-Cyclopentadiene, 5-(1-methylethylidene)-
IUPAC: 5-propan-2-ylidenecyclopenta-1,3-diene
Englischer Name: 6,6-Dimethylfulvene
Summenformel: C8H10
Molmasse: 106.17

Namen und Synonyme

6,6-Dimethylfulvene2175-91-9Dimethylfulvene1,3-Cyclopentadiene, 5-(1-methylethylidene)-5-Isopropylidene-1,3-cyclopentadieneIsopropylidenecyclopentadieneFulvene, 6,6-dimethylNSC 1323501,3-Cyclopentadiene, 5-isopropylidene-5-IsopropylidenecyclopentadieneDTXSID101761495-(1-methylethylidene)cyclopenta-1,3-diene

Weitere Namen anzeigen

TIMTEC-BB SBB008063fulvene,6,6-dimethyl-6,6'-Dimethyl fulvene6,6-Dimethylfulvene>6,6-DiMethylfulvene >=97.0%

RefChem:72553DTXCID9098640InChI=1/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2HWXACXMWYHXOSIX-UHFFFAOYSA-N5-(propan-2-ylidene)cyclopenta-1,3-diene5-propan-2-ylidenecyclopenta-1,3-dieneMFCD000116555-(1-Methylethylidene)-1,3-cyclopentadiene

Datenbank-Bezeichner

CAS: 2175-91-9
PubChem CID: 137467
DTXSID: DTXSID10176149
EC Number: 629-062-2
Nikkaji: J44.201A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: 3 °C · 3 °C
Siedepunkt: 76 · 76-77 °C/50 mmHg (lit.)
Dichte: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.548(lit.)
Flammpunkt: 43 °C · 43°C
storage temp.: -20 °C · -20°C
Aggregatzustand: clear liquid
Farbe: Light yellow to Brown
BRN: 1616308 · 1616308
InChI: InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3
InChIKey: WXACXMWYHXOSIX-UHFFFAOYSA-N
SMILES: C1/C(=C(/C)\C)/C=CC=1
CAS Datenbank: 2175 · 2175-91-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 4.10-10-13-23
wgk: 3
ridadr: UN 3295 3/PG 3
hs_code: 2902190000
risk_code: 10-65
hazard_code: Xn
safety_code: 16-62
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Asp. Tox. 1Flam. Liq. 3

Chemie und Industrie

Anwendungen

Verwenden6,6-Dimethylfulvene can be used for hydrogenation of azulene synthesis; olefin protection.

Darstellung

synthetische6,6-Dimethylfulvene is prepared by reaction of cyclopentadiene with acetone under basic conditions. The condensation has also been accomplished using pyrrolidine.