Basic information
- CAS
202-98-2- Standard SMILES
c1ccc2c(c1)cc1c3c2ccc2cccc(c23)C1- InChIKey
GTDQLJVKXFXBMM-UHFFFAOYSA-N- Molecular formula
- C19H12
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.09390038
Overview
4H-Cyclopenta[def]chrysene is a carbopolycyclic compound.
Names & identifiers
- Preferred name
- 4H-Cyclopenta(def)chrysene
- IUPAC
- pentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),10,12(17),13,15-nonaene
- English name
- 4H-Cyclopenta(def)chrysene
- Molecular formula
- C19H12
- Molecular weight
- 240.3
Names & synonyms
4,5-Methanochrysene202-98-24H-Cyclopenta(def)chrysene4H-Cyclopenta[def]chrysene4,5-MethylenechryseneCCRIS 2129Chrysene, 4,5-methylene-LZT8L2F6RKBRN 2450512UNII-LZT8L2F6RKDTXSID501740433-05-00-02461 (Beilstein Handbook Reference)
Show more names
4H-CYCLOPENTA(DEF)CHRYSENE [IARC]4H-CYCLOPENTA(DEF)CHRYSENE (IARC)RefChem:100689DTXCID8096534GTDQLJVKXFXBMM-UHFFFAOYSA-Npentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),10,12(17),13,15-nonaenestarbld00129834h-cyclopenta[dej]chrysene
Database identifiers
- CAS
202-98-2- PubChem CID
- 67458
- DTXSID
DTXSID50174043- ChEBI
CHEBI:82433- UNII
- LZT8L2F6RK
- Nikkaji
- J374.890A
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 175 °C · 175°C
- Boiling point
- 318.02 °C · 318.02°C (rough estimate)
- Density
- 1.1385 · 1.1385 (estimate)
- refractive index
- 1.475 · 1.4750 (estimate)
- storage temp.
- Refrigerator
- solubility
- Acetone (Slightly), Chloroform (Slightly)
- form
- Solid
- color
- Light Red to Light Orange
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 L2F6RK · LZT8L2F6RK
- 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
4H-Cyclopenta[def]chrysene
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
Uses4,5-Methanochrysene shows moderate degree of carcinogenic activity. As a polycyclic aromatic hydrocarbon (PAH), it is considered as a pollutant.
Suppliers4 total
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]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 4H-Cyclopenta[def]chrysene is a carbopolycyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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