Basic information
- CAS
193-09-9- Standard SMILES
c1ccc2cc3c(cc2c1)c1cccc2ccc4cccc3c4c21- InChIKey
SRCZXQXKBVWAFC-UHFFFAOYSA-N- Molecular formula
- C24H14
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10955045
Overview
Naphtho[2,3-e]pyrene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- Dibenzo(de,qr)naphthacene
- IUPAC
- hexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1(22),2,4,6,8,10,12,14,16(24),17,19(23),20-dodecaene
- English name
- Naphtho[2,3-e]pyrene
- Molecular formula
- C24H14
- Molecular weight
- 302.37
Names & synonyms
Naphtho[2,3-e]pyreneDibenzo[de,qr]naphthaceneDIBENZO(DE,QR)NAPHTHACENECCRIS 8724NAPHTHO(2,3-E)PYRENEDTXSID80172895RefChem:132826DTXCID0095386SRCZXQXKBVWAFC-UHFFFAOYSA-N193-09-9dibenzo[de,qr]tetracenehexacyclo[10.10.2.02,11.04,9.016,24.019,23]tetracosa-1(22),2,4,6,8,10,12,14,16(24),17,19(23),20-dodecaene
Show more names
Naphtho-(2',3':4,5)-pyrene
Dibenzo[de,qr]naphthacene; Dibenzo[de,qr]tetracene;KG7GUT6WNZSCHEMBL987470CHEBI:82499DB-220309NS00125400C19467Q27156003
Database identifiers
- CAS
193-09-9- PubChem CID
- 9129
- DTXSID
DTXSID80172895- ChEBI
CHEBI:82499- UNII
- KG7GUT6WNZ
- Nikkaji
- J79.482A
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 164 °C · >164°C (dec.)
- Boiling point
- 552.3 · 552.3±17.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Acetone (Slightly, Heated), Chloroform (Slightly, Heated)
- form
- Solid
- color
- Off-White to Light Yellow
- Stability
- Light sensitive
- IARC
- 3 · 3 (Vol. 92) 2010
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
Naphtho[2,3-e]pyrene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 92: (2010) Some Non-heterocyclic Polycyclic Aromatic Hydrocarbons and Some Related Exposures
2010
2005
Chemistry & industry
Applications
UsesNaphtho[2,3-e]pyrene is a polycyclic aomatic hydrocarbon (PAH) with carcinogenicity. Naphtho[2,3-e]pyrene is one of the C24H14 PAH that displayed mutagenicity in human cells expressing CYP1A1.
Suppliers4 total
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]
Additional notes
DefinitionChEBI: Naphtho[2,3-e]pyrene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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