Methylenephenanthrene

HCID 9147CAS 203-64-5

Substructure search Find similar structures

Basic information

Standard SMILES: c1cc2c3c(c1)ccc1cccc(c13)C2
InChIKey: RKZDZWJDQTZDLD-UHFFFAOYSA-N
Molecular formula: C15H10
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.07825032

Names & identifiers

Preferred name: Methylenephenanthrene
IUPAC: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
English name: 4,5-Methylenephenanthrene
Molecular formula: C15H10
Molecular weight: 190.24

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Experimental & physicochemical properties

Kovats Retention Index · 2 items

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

Physicochemical properties

Melting point: 114 °C · 114 °C
Boiling point: 353 °C · 353 °C
Density: 1.257 · 1.257±0.06 g/cm3(Predicted)

Safety & regulation

GHS classification

GHS Classification · 3 items

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.