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2-Ethylnaphthalene - ≥99%, high purity , CAS No.939-27-5

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2-Ethylnaphthalene - ≥99%, high purity , CAS No.939-27-5

COA

Grade & Purity:

≥99%

Cas Number: 939-27-5
Molecular Weight: 156.23
Beilstein Registry Number: 1903550
MDL number: MFCD00004127
PubChem CID: 13652
PubChem SID: 488181882

In stock

Item Number

E465584

Grouped product items
SKU	Size	Availability	Price
E465584-1g	1g	4	$74.90
E465584-5g	5g	4	$213.90
E465584-25g	25g	3	$688.90

Basic Description

Synonyms	.beta.-Ethylnaphthalene \| WLN: L66J C2 \| beta-Ethylnaphthalene \| MFCD00084376 \| D83899 \| BDBM50159278 \| EINECS 213-360-0 \| DTXSID9061330 \| NSC 59389 \| InChI=1/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3 \| Naphthalene, 2-ethyl \| A858211 \| MFCD00
Specifications & Purity	≥99%
Storage Temp	Argon charged
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	Not available
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

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

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	488181882
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181882
IUPAC Name	2-ethylnaphthalene
INCHI	InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
InChIKey	RJTJVVYSTUQWNI-UHFFFAOYSA-N
Smiles	CCC1=CC2=CC=CC=C2C=C1
Isomeric SMILES	CCC1=CC2=CC=CC=C2C=C1
WGK Germany	3
RTECS	QJ6960000
Molecular Weight	156.23
Beilstein	1903550
Reaxy-Rn	1903545
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903545&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.

8 results found

Lot Number	Certificate Type	Date	Item
C2428114	Certificate of Analysis	Mar 12, 2024	E465584
C2428115	Certificate of Analysis	Mar 12, 2024	E465584
G2313167	Certificate of Analysis	Jan 10, 2023	E465584
C2311275	Certificate of Analysis	Jan 10, 2023	E465584
C2311144	Certificate of Analysis	Jan 10, 2023	E465584
F2524400	Certificate of Analysis	Jan 10, 2023	E465584
C2311246	Certificate of Analysis	Jan 10, 2023	E465584
A2514162	Certificate of Analysis	Jan 10, 2023	E465584

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.60
Flash Point(°C)	219.2 °C
Boil Point(°C)	252 °C
Melt Point(°C)	-70 °C
Molecular Weight	156.220 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
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	139.000
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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