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1-Methylbenzo[Pqr]Tetraphene
[CAS# 25167-89-9]

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Identification
Name 1-Methylbenzo[Pqr]Tetraphene
Synonyms 1-Methylbenzo(a)pyrene; 1-METHYLBENZO[A]PYRENE; 1-Methylbenzopyrene
Molecular Structure CAS#: 25167-89-9, 1-Methylbenzo[Pqr]Tetraphene
Molecular Formula C21H14
Molecular Weight 266.34
CAS Registry Number 25167-89-9
SMILES c45cc2ccc1ccc(c3c1c2c(cc3)c4cccc5)C
InChI 1S/C21H14/c1-13-6-7-14-8-9-16-12-15-4-2-3-5-18(15)19-11-10-17(13)20(14)21(16)19/h2-12H,1H3
InChIKey WMAYPBMLSQKCHA-UHFFFAOYSA-N
Properties
Density 1.254g/cm3 (Cal.)
Boiling point 479.361°C at 760 mmHg (Cal.)
Flash point 236.729°C (Cal.)
Refractive index 1.853 (Cal.)
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