4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene

Modify Date: 2025-09-15 12:08:11

4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene Structure
4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene structure
 Common Name 4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene
CAS Number 115664-49-8 Molecular Weight 313.30600
Density 1.53g/cm3 Boiling Point 587.6ºC at 760mmHg
Molecular Formula C20H11NO3 Melting Point N/A
MSDS N/A Flash Point 273ºC

 Names

Name ccris 1529
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.53g/cm3
Boiling Point 587.6ºC at 760mmHg
Molecular Formula C20H11NO3
Molecular Weight 313.30600
Flash Point 273ºC
Exact Mass 313.07400
PSA 58.35000
LogP 5.70360
Vapour Pressure 3.6E-13mmHg at 25°C
Index of Refraction 1.876
InChIKey YXCUTAHELJGPFG-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc2c3c4c(cccc4c4ccccc4c13)C1OC21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ5052000
CHEMICAL NAME :
Benzo(e)pyrene, 4,5-dihydro-4,5-epoxy-1-nitro-
CAS REGISTRY NUMBER :
115664-49-8
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H11-N-O3
MOLECULAR WEIGHT :
313.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
2500 ng/plate
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 9,951,1988

 Synonyms

4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene
Benzo(e)pyrene,4,5-dihydro-4,5-epoxy-1-nitro
Benzo[9,10]pyreno[4,5-b]oxirene,3b,4a-dihydro-1-nitro
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Chemsrc provides CAS#:115664-49-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene>> amp version: 4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene

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