Basic information
- CAS
224-41-9- Standard SMILES
c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12- InChIKey
KLIHYVJAYWCEDM-UHFFFAOYSA-N- Molecular formula
- C22H14
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10955045
Overview
Dibenz[a,j]anthracene can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- Dibenz(a,j)anthracene
- IUPAC
- pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
- English name
- Dibenzo(a,j)anthracene
- Molecular formula
- C22H14
- Molecular weight
- 278.35
Names & synonyms
Dibenz[a,j]anthracene224-41-9Dibenzo-1,2,7,8-anthraceneDIBENZ(A,J)ANTHRACENE3,4,5,6-DibenzanthraceneDibenzo(aj)anthracene1,2:7,8-Dibenzanthracenedibenz(aj)anthraceneM477C74UCXDTXSID8074811NSC-90321RefChem:132794
Show more names
Nsc90321Wln: L E6 D6 B666jDibenz[a,j]anthracene (purity)74798, Dibenz[a,j]anthracene (purity)Dibenzo(a,j)anthracene in AcetonitrileL20705000ALDibenz[a,j]anthracenE10μg/mLin A
DTXCID5036684205-928-1681-933-6Dibenzo(a,j)anthraceneBenzo[m]tetrapheneDIBENZ (a.j) ANTHRACENE (purity)dibenzo[a,j]anthracenepentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
Database identifiers
- CAS
224-41-9- PubChem CID
- 9176
- DTXSID
DTXSID8074811- ChEMBL
CHEMBL24775
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
LogP6.84
Physicochemical properties
- Melting point
- 197.5 °C · 197.5°C
- Boiling point
- 356.16 °C · 356.16°C (rough estimate)
- Density
- 1.1489 · 1.1489 (estimate)
- refractive index
- 1.812 · 1.8120 (estimate)
- storage temp.
- 2 · 2-8°C
- Water Solubility
- 8.629 ug/L · 8.629ug/L(25 ºC)
- BRN
- 2051201 · 2051201
- Henry's Law Constant
- 8.6 · 8.6×101 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 477 C74UCX · M477C74UCX
- Proposition 65 List
- Dibenz[a,j]anthracene
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazard Classes and CategoriesCarc. 2 (100%)
Toxicology
Carcinogen Classification
Dibenz[a,j]anthracene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
2010
2005
Safety data
- wgk
- 3
- ridadr
- 2811
- risk_code
- 25-36/37/38-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45-61
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Suppliers7 total
重庆福腾医药有限公司18696571988 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Additional notes
DefinitionChEBI: Dibenz[a,j]anthracene is a member of phenanthrenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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