(5-acetyloxy-6-nitrobenzo[e]pyren-4-yl) acetate

Modify Date: 2025-09-12 00:36:15

(5-acetyloxy-6-nitrobenzo[e]pyren-4-yl) acetate Structure
(5-acetyloxy-6-nitrobenzo[e]pyren-4-yl) acetate structure
Common Name (5-acetyloxy-6-nitrobenzo[e]pyren-4-yl) acetate
CAS Number 134998-78-0 Molecular Weight 413.37900
Density 1.459g/cm3 Boiling Point 642.5ºC at 760 mmHg
Molecular Formula C24H15NO6 Melting Point N/A
MSDS N/A Flash Point 268.1ºC

 Names

Name (5-acetyloxy-6-nitrobenzo[e]pyren-4-yl) acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.459g/cm3
Boiling Point 642.5ºC at 760 mmHg
Molecular Formula C24H15NO6
Molecular Weight 413.37900
Flash Point 268.1ºC
Exact Mass 413.09000
PSA 98.42000
LogP 6.01920
Vapour Pressure 2.11E-16mmHg at 25°C
Index of Refraction 1.786
InChIKey SLWANLQVLHQJPM-UHFFFAOYSA-N
SMILES CC(=O)Oc1c(OC(C)=O)c2c([N+](=O)[O-])ccc3c4ccccc4c4cccc1c4c23

 Synonyms

Benzo(e)pyrene-4,5-diol,3-nitro-,diacetate (ester)
3-Nitrobenzo(e)pyrene-4,5-diol diacetate (ester)
3-Nitrobenzo(e)pyrene cis-4,5-diacetate
3-nitrobenzo[e]pyrene-4,5-diyl diacetate
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