Dibenzo(a,e)pyrene
Also known as Dibenzo[a,e]pyrene, Naphtho[1,2,3,4-def]chrysene, 1,2,4,5-Dibenzopyrene
Key facts
What buyers check first
- Appearance
- Pale yellow needles from xylene
- Melting point
- 244.4 °C
- Solubility
- Slightly soluble in ethanol, acetone, benzene, acetic acid, soluble in toluene and conce…
- HS code
- 290290
- Category
- Aromatic building blocks
- UN number
- UN 2811

What is Dibenzo(a,e)pyrene?
Plain description, key identifiers and synonyms
Dibenzo[a,e]pyrene is an ortho- and peri-fused polycyclic arene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene
- CAS number
- 192-65-4 CAS number cross-checked
- EC number
- 205-891-1
- Molecular formula
- C24H14
- UNII
- SAC8PEK62H
- MDL number
- MFCD00040155
- InChIKey
- KGHMWBNEMFNJFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H
- SMILES (canonical and isomeric)
- C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC=CC(=C64)C=C3
Synonyms
- Dibenzo[a,e]pyrene
- Naphtho[1,2,3,4-def]chrysene
- 1,2,4,5-Dibenzopyrene
- DB(a,e)P
- Naphtho(1,2,3,4-def)chrysene
- Naptho(1,2,3,4-def)chrysene
- Naphtho(1,2,3,4,def)chrysene
- Dibenzo[f,pqr]tetraphene
- 1,2:4,5-Dibenzopyrene
- DIBENZO (a.e) PYRENE (purity)
- hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene
- dibenz[a,e]pyrene
- Naphtho[1,2,3,4-def]chrysene, 1,2:4,5-Dibenzopyrene, Dibenzo[3,4:6,7]pyrene, Dibenzo[a,e]pyrene, Dibenzo(a,e)pyrene
- 1,2:4,5-Dibenzpyrene
- Dibenzo[a,e]pyrene (purity)
- Dibenzo[a,e]pyrene 10 |Ig/mL in Cyclohexane
- Dibenzo[a,e]pyrene 10 |Ig/mL in Acetonitrile
- Dibenzo[a,e]pyrene 10 microg/mL in Acetonitrile
- Dibenzo[a,e]pyrene 10 microg/mL in Cyclohexane
- Dibenzo[a,e]pyrene, BCR(R) certified Reference Material
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Pale yellow needles from xyleneexp.Measured value |
|---|---|
| Melting point | 244.4 °Cexp.Measured value |
| Solubility | Slightly soluble in ethanol, acetone, benzene, acetic acid, soluble in toluene and concentrated sulfuric acidexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 302.38 g/molcalc.Computed value |
|---|---|
| Exact mass | 302.1096 Dacalc.Computed value |
| LogP (octanol/water) | 6.89calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 6calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc2c(c1)cc1c3ccccc3c3cccc4ccc2c1c43
6 rings, 24 atoms. This chemical is the scaffold itself.
2 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H318Causes serious eye damage.
- H341Suspected of causing genetic defects.
- H350May cause cancer.
- H351Suspected of causing cancer.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (10)
- P203Obtain, read and follow all safety instructions before use.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P318If exposed or concerned, get medical advice.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 2811
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidDibenzo(a,e)pyrene suppliers
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- China, ShanghaiUnclaimed profileDibenzo(a,e)pyreneGrade, purity and minimum order on requestPrice on request
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Dibenzo(a,e)pyrene price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
There is no ... known use of this compound.
PAHs are generally not produced commercially in the United States except as research chemicals. (Polycyclic aromatic hydrocarbons).
Industries and functions
Pharmacology
Dibenzo[a,e]pyrene is a yellowish-reddish, aromatic hydrocarbon consisting of six fused rings and produced by incomplete combustion of organic matter. Dibenzo[a,e]pyrene is primarily found in gasoline exhaust, tobacco smoke and fossil fuels. This substance is used only for research purposes. Dibenzo[a,e]pyrene is reasonably anticipated to be a human carcinogen. (NCI05)
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Dibenzo(a,e)pyrene is traded under.
Cyclic hydrocarbons, other
- Germany11.1%
- United States10.6%
- South Korea8.3%
* Partner reported figures, a lower bound.
The HS code shown for Dibenzo(a,e)pyrene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Dibenzo(a,e)pyrene, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Dibenzo(a,e)pyrene
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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