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Chrysene , CAS No.218-01-9

29 Citations

COA

Cas Number: 218-01-9
Molecular Weight: 228.29
Beilstein Registry Number: 1909297
EC Number: 205-923-4
PubChem CID: 9171

In stock

Item Number

C432327

Grouped product items
SKU	Size	Availability	Price	Qty
C432327-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$454.90
C432327-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$851.90

Basic Description

Synonyms	Chrysen \| FT-0623810 \| AI3-00867 \| AKOS015904682 \| AS-39344 \| Benzo[a]phenanthrene (purified by sublimation) \| Chrysene 10 microg/mL in Cyclohexane \| Chrysene, analytical standard \| Coal tar pitch volatiles: chrysene \| NCGC00260097-01 \| CHRYSENE [IARC] \|

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives
    - Subclass Chrysenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Chrysenes
Intermediate Tree Nodes	Not available
Direct Parent	Chrysenes
Alternative Parents	Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Chrysene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
External Descriptors	an aromatic compound
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HPRT1 Tchem Hypoxanthine-guanine phosphoribosyltransferase (369 Activities)

Discover Target: HPRT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Polycyclic aromatic hydrocarbon binding protein (16 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	chrysene
INCHI	InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
InChIKey	WDECIBYCCFPHNR-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Isomeric SMILES	C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
WGK Germany	3
RTECS	GC0700000
UN Number	3077
Packing Group	III
Molecular Weight	228.29
Beilstein	1909297
Reaxy-Rn	1909297
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909297&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	448°C
Melt Point(°C)	246-256°C
Molecular Weight	228.300 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	228.094 Da
Monoisotopic Mass	228.094 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	264.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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