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1,4,5-Trimethylnaphthalene - >96.0%(GC), high purity , CAS No.2131-41-1

COA

Grade & Purity:

≥96%(GC)

Cas Number: 2131-41-1
Molecular Weight: 170.26
Beilstein Registry Number: 5(4)1728
MDL number: MFCD00216209
PubChem CID: 16478

In stock

Item Number

T162078

Grouped product items
SKU	Size	Availability	Price	Qty
T162078-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
T162078-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$274.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	D92509 \| 1,4,5-TRIMETHYLNAPHTHALENE \| CS-0336455 \| 1,4,5-Trimethyl naphthalene \| MFCD00216209 \| T1711 \| CHEBI:89921 \| E310186658 \| Q27162105 \| FT-0634053 \| CAA13141 \| DTXSID50175575 \| 1,4,5-Trimethyl-naphtalene \| FSAWRQYDMHSDRN-UHFFFAOYSA-N \| EINECS 218-3
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	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

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	1,4,5-trimethylnaphthalene
INCHI	InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3
InChIKey	FSAWRQYDMHSDRN-UHFFFAOYSA-N
Smiles	CC1=C2C(=CC=C(C2=CC=C1)C)C
Isomeric SMILES	CC1=C2C(=CC=C(C2=CC=C1)C)C
PubChem CID	16478
Molecular Weight	170.26
Beilstein	5(4)1728
Reaxy-Rn	2042200

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)	145°C/12mmHg(lit.)
Melt Point(°C)	60 °C
Molecular Weight	170.250 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	170.11 Da
Monoisotopic Mass	170.11 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	173.000
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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