3a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz[f]inden

Tricyclopentadiene

HCID 111263CAS 7158-25-0

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Grundinformationen

Standard-SMILES: C1=CC2C(C1)C1CC2C2C3C=CC(C3)C12
InChIKey: XCGKRTHKVBCXLN-UHFFFAOYSA-N
Summenformel: C15H18
Durchschnittliche Molmasse: 198,3 g/mol
Monoisotopische Masse: 198,14085058

Namen und Bezeichner

Bevorzugter Name: Tricyclopentadiene
IUPAC: pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
Lokaler Name: 3a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz[f]inden
Englischer Name: 3a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene
Summenformel: C15H18
Molmasse: 198.3

Namen und Synonyme

7158-25-03a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-EINECS 230-512-13a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz(f)indeneDTXSID508640184,9:5,8-Dimethano-1H-benz(f)indene, 3a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-Dimethano-1H-benzfindene, 3a,4,4a,5,8,8a,9,9a-octahydro-RefChem:899379DTXCID50812574230-512-1Tricyclopentadiene

Weitere Namen anzeigen

[Mixture of 3a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz[f]indene(7158-25-0) and 4,4a,4b,5,8,8a,9,9a-Octahydro-1,4:5,8-dimethano-1H-fluorene(35184-08-8)]

pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene3a,4,4a,5,8,8a,9,9a-octahydro-1H-4,9:5,8-dimethanocyclopenta[b]naphthalene3a,4,4a,5,8,8a,9,9a-octahydro-4,9TCPDVitamin K1 Impurity 198SCHEMBL3360043SY251985NS00013248

Datenbank-Bezeichner

CAS: 7158-25-0
PubChem CID: 111263
DTXSID: DTXSID50864018
EC Number: 230-512-1
Nikkaji: J39.591I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 377

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 287.5 · 287.5±40.0 °C(Predicted)
Dichte: 1.121 · 1.121±0.06 g/cm3(Predicted)
Dampfdruck: 1.56 Pa · 1.56Pa at 25℃
Löslichkeit: Chlorofom (Soluble), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: 5.38 mg/L · 5.38mg/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 3.04 at · 3.04 at 23℃
EPA chemische Informationen: 4 · 4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro- (7158-25-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-

4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30600

4,9:5,8-Dimethano-1H-benzfindene, 3a,4,4a,5,8,8a,9,9a-octahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 923,004 lb

Consumer UsesMonomers

Industry UsesMonomers

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-: ACTIVE

Anwendungen

VerwendenTricyclopentadiene (TCPD), is the product of dicyclopentadiene (D439350) via cycloaddition, has been shown to be a promising candidate as a high-energy fuel.