Basic information
- CAS
27208-37-3- Standard SMILES
C1=Cc2cc3cccc4ccc5ccc1c2c5c43- InChIKey
BZCXQYVNASLLQO-UHFFFAOYSA-N- Molecular formula
- C18H10
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.07825032
Overview
Cyclopenta[cd]pyrene can cause cancer according to California Labor Code.
Names & identifiers
- Preferred name
- Cyclopenta(cd)pyrene
- IUPAC
- pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene
- English name
- CYCLOPENTA(C,D)PYRENE
- Molecular formula
- C18H10
- Molecular weight
- 226.27
Names & synonyms
Cyclopenta[cd]pyrene27208-37-3CYCLOPENTA(C,D)PYRENEAcepyryleneCyclopenta(cd)pyrene29XD62TN4DDTXSID7074822cyclopenteno(cd)pyreneRefChem:129827DTXCID2037639NSC49307Acepyrene
Show more names
Cyclopenta(c,d)pyrene SolutionAcepyrene,Cyclopenta[cd]pyreneCyclopenta(c.d)pyrene in CyclohexaneCyclopenta(c.d)pyrene in AcetonitrileCyclopenta(c,d)pyrene@50 μg/mL in TolueneLA20680000ALCyclopenta[c,d]pyrenE10μg/mLin A
Cyclopenteno(c,d)pyrenepentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaeneCCRIS 6930BRN 2047004UNII-29XD62TN4DCyclopenta[cd]pyrene; Acepyrene; Acepyrylene; Cyclopenta[c,d]pyreneCYCLOPENTA(CD)PYRNENECHEMBL350278
Database identifiers
- CAS
27208-37-3- PubChem CID
- 33743
- DTXSID
DTXSID7074822- ChEMBL
CHEMBL350278
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 175 °C · 175°C
- Boiling point
- 302.89 °C · 302.89°C (rough estimate)
- Density
- 1.1624 · 1.1624 (estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- solubility
- Acetone (Slightly), Benzene (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Orange to Dark Orange
- Stability
- Light Sensitive
- InChI
- InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H
- InChIKey
- BZCXQYVNASLLQO-UHFFFAOYSA-N
- SMILES
- C1C2C3=C4C(=CC=2)C=CC=C4C=C2C=CC(=C23)C=1
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
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesNot Classified
Toxicology
Carcinogen Classification
Cyclopenta[cd]pyrene
Group 2A: Probably carcinogenic 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
NB Overall evaluation upgraded to Group 2A with supporting evidence from other relevant data
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Applications
UsesAcepyrene is a novel constituent discovered that belongs to the pyrene class of the polycyclic aromatic hydrocarbons. Acepyrene occurs in a large variety of carbon black soots, in cigarette smoke and is the major representative of PAH in car engine exhaust gases.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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