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1,4-Dimethylnaphthalene - >96.0%(GC), high purity , CAS No.571-58-4

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1,4-Dimethylnaphthalene - >96.0%(GC), high purity , CAS No.571-58-4

COA

Grade & Purity:

≥96%(GC)

Cas Number: 571-58-4
Molecular Weight: 156.23
Beilstein Registry Number: 2039840
MDL number: MFCD00004037
PubChem CID: 11304
PubChem SID: 488181302

In stock

Item Number

D155046

Grouped product items
SKU	Size	Availability	Price
D155046-1g	1g	3	$31.90
D155046-5g	5g	3	$119.90
D155046-25g	25g	2	$420.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	CHEBI:48609 \| 1,4-DMN \| AKOS015842553 \| DTXSID8035423 \| Tox21_300881 \| STL453638 \| D89759 \| MFCD00004037 \| DIMETHYLNAPHTHALENE, 1,4- \| NCGC00254785-01 \| AS-57958 \| Naphthalene, 1,4-dimethyl- \| NSC61779 \| NSC-61779 \| Q27121287 \| EINECS 209-335-9 \| 1,4-DIME
Specifications & Purity	≥96%(GC)
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)

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

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	488181302
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181302
IUPAC Name	1,4-dimethylnaphthalene
INCHI	InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
InChIKey	APQSQLNWAIULLK-UHFFFAOYSA-N
Smiles	CC1=CC=C(C2=CC=CC=C12)C
Isomeric SMILES	CC1=CC=C(C2=CC=CC=C12)C
WGK Germany	3
RTECS	QJ4440000
Molecular Weight	156.23
Beilstein	2039840
Reaxy-Rn	2039842
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039842&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.

5 results found

Lot Number	Certificate Type	Date	Item
F2328194	Certificate of Analysis	Mar 08, 2022	D155046
F2328186	Certificate of Analysis	Mar 08, 2022	D155046
E2218073	Certificate of Analysis	Mar 08, 2022	D155046
E2218241	Certificate of Analysis	Mar 08, 2022	D155046
E2218242	Certificate of Analysis	Mar 08, 2022	D155046

Chemical and Physical Properties

Refractive Index	1.61
Flash Point(°F)	235.4 °F
Flash Point(°C)	128°C(lit.)
Boil Point(°C)	268°C(lit.)
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	132.000
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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