1,4,5-Trimethylnaphthalene

Base Information

Chemical Name:1,4,5-Trimethylnaphthalene
CAS No.:2131-41-1
Molecular Formula:C13H14
Molecular Weight:170.254
Hs Code.:2902909090
European Community (EC) Number:218-356-2
UNII:E310186658
DSSTox Substance ID:DTXSID50175575
Nikkaji Number:J298.718J
Wikidata:Q27162105
ChEMBL ID:CHEMBL1797282
Mol file:2131-41-1.mol

Synonyms:1,4,5-TRIMETHYLNAPHTHALENE;2131-41-1;Naphthalene, 1,4,5-trimethyl-;1,4,5-Trimethyl-naphtalene;CHEBI:89921;E310186658;EINECS 218-356-2;1,4,5-Trimethyl naphthalene;CHEMBL1797282;DTXSID50175575;CAA13141;MFCD00216209;UNII-E310186658;CS-0336455;FT-0634053;T1711;D92509;Q27162105

Suppliers and Price of 1,4,5-Trimethylnaphthalene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
1,4,5-Trimethylnaphthalene >96.0%(GC)
100mg
$ 289.00

AK Scientific
1,4,5-Trimethylnaphthalene
100mg
$ 456.00

Total 14 raw suppliers

Chemical Property of 1,4,5-Trimethylnaphthalene

Chemical Property:

Melting Point:60 °C
Refractive Index:1.6070 (estimate)
Boiling Point:290.3 °C at 760 mmHg
Flash Point:130.5 °C
PSA：0.00000
Density:0.987 g/cm³
LogP:3.76500
Water Solubility.:2.1mg/L(25 oC)
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:170.109550447
Heavy Atom Count:13
Complexity:173

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4,5-Trimethylnaphthalene >96.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=CC=C(C2=CC=C1)C)C

Technology Process of 1,4,5-Trimethylnaphthalene

There total 25 articles about 1,4,5-Trimethylnaphthalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

: 97585-92-7
(4,5-Dimethyl-naphthalen-1-ylmethyl)-triphenyl-phosphonium; chloride

: 2131-41-1
1,4,5-trimethylnaphthalene

: 791-28-6
Triphenylphosphine oxide

Guidance literature:: With sodium hydroxide; In ethanol; water; Heating;

Reference yield:

: 3-benzyl-5-methyldihydrofuran-2(3H)-one

: 2027-17-0
2-Isopropylnaphthalene

: 4830-99-3,137823-77-9,137823-78-0
1-ethyl-2,3-dihydro-1H-indene

: 581-42-0
2.6-dimethylnaphthalene

: 496-11-7
INDANE

: 1559-81-5
1-methyl-1,2,3,4-tetrahydronaphthalene

: 826-18-6
1-pentenylbenzene

: 1608-27-1
1-phenylpenta-1,3-diene

: 571-58-4
1,4-dimethylnaphthalene

: 2245-38-7
1,6,7-trimethylnaphthalene

: 2131-42-2
1,4,6-trimethylnaphthalene

: 2131-41-1
1,4,5-trimethylnaphthalene

: 3877-19-8
2-methyltetralin

: 1680-51-9
6-methyl-1,2,3,4-tetrahydronaphthalene

: C₁₃H₁₈

: 90-12-0,34475-76-8
1-Methylnaphthalene

: 91-57-6,34468-07-0
2-Methylnaphthalene

Guidance literature:: at 349.84 ℃; under 750.075 Torr;
DOI:10.1039/d1gc02119b

Reference yield:

scrap tire: scrap tire

: 132-64-9,214827-48-2
dibenzofuran

: 86-73-7
9H-fluorene

: 203-80-5
phenalene

: 2131-41-1
1,4,5-trimethylnaphthalene

Guidance literature:: With air; at 650 - 850 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;
DOI:10.1021/es990883y