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1,6-Dimethylnaphthalene - 99%, high purity , CAS No.575-43-9

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1,6-Dimethylnaphthalene - 99%, high purity , CAS No.575-43-9

COA

Grade & Purity:

≥99%

Cas Number: 575-43-9
Molecular Weight: 156.22
MDL number: MFCD00004039
PubChem CID: 11328
PubChem SID: 488181309

In stock

Item Number

D171060

Grouped product items
SKU	Size	Availability	Price	Qty
D171060-50mg	50mg	2	$172.90

View related series

Metabolite (5307) Naphthalenes (9)

Basic Description

Synonyms	Q27115787 \| NCGC00091292-02 \| 1,6-DIMETHYLNAPHTHALENE [HSDB] \| CAS-575-43-9 \| NCGC00091292-01 \| Naphthalene, 1,6-dimethyl- \| MLS002667564 \| BBL019900 \| STL196685 \| DTXSID7022415 \| DTXCID302415 \| BIDD:ER0552 \| DIMETHYLNAPHTHALENE, 1,6- \| MLS001050091 \| Nap
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors	dimethylnaphthalene
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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Pubchem Sid	488181309
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181309
IUPAC Name	1,6-dimethylnaphthalene
INCHI	InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
InChIKey	CBMXCNPQDUJNHT-UHFFFAOYSA-N
Smiles	CC1=CC2=CC=CC(=C2C=C1)C
Isomeric SMILES	CC1=CC2=CC=CC(=C2C=C1)C
WGK Germany	3
Molecular Weight	156.22
Reaxy-Rn	1854429
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854429&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
C2325696	Certificate of Analysis	Nov 18, 2022	D171060
C2325697	Certificate of Analysis	Nov 18, 2022	D171060
K2211667	Certificate of Analysis	Oct 29, 2022	D171060

Chemical and Physical Properties

Refractive Index	1.6075
Flash Point(°F)	233.6 °F
Flash Point(°C)	112 °C
Boil Point(°C)	263-264℃
Melt Point(°C)	-15℃
Molecular Weight	156.220 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	156.094 Da
Monoisotopic Mass	156.094 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150.000
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

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