Methylenephenanthrene

HCID 9147CAS 203-64-5

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Grundinformationen

Standard-SMILES: c1cc2c3c(c1)ccc1cccc(c13)C2
InChIKey: RKZDZWJDQTZDLD-UHFFFAOYSA-N
Summenformel: C15H10
Durchschnittliche Molmasse: 190,24 g/mol
Monoisotopische Masse: 190,07825032

Namen und Bezeichner

Bevorzugter Name: Methylenephenanthrene
IUPAC: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
Englischer Name: 4,5-Methylenephenanthrene
Summenformel: C15H10
Molmasse: 190.24

Namen und Synonyme

203-64-54H-Cyclopenta[def]phenanthreneMethylenephenanthrene4,5-METHYLENEPHENANTHRENE4H-Cyclopenta(def)phenanthrene4,5-PhenanthrylenemethaneBenzo(def)fluoreneBenzo[def]fluoreneMethane, 4,5-phenanthrylene-Phenanthrene, 4,5-methylene-NSC 88888CCRIS 5797

Weitere Namen anzeigen

DTXSID10248874-H-Cyclopenta(d,e,f)phenanthreneEINECS 205-905-6UNII-U16R456Q1YBRN 2043908AI3-52512U16R456Q1YNSC-88888

Datenbank-Bezeichner

CAS: 203-64-5
PubChem CID: 9147
DTXSID: DTXSID1024887
ChEMBL: CHEMBL1491899
UNII: U16R456Q1Y
EC Number: 205-905-6
Nikkaji: J34.897J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 231

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1879；1887；1888；322.1；322.3

1864.28；1876.18；1875；1936；318.6；322.18；325.73；321.96；322.08；322.18；325.73；318.6；322.08；322.3；319.1；322.64；319.5；321.96；322.3；322.42

Physikochemische Eigenschaften

Schmelzpunkt: 114 °C · 114 °C
Siedepunkt: 353 °C · 353 °C
Dichte: 1.257 · 1.257±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 3 of 3 reports by companies.；There are 0 notifications provided by 0 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.