2,4,5-Trimethylbenzenesulfonic acid

Base Information

Chemical Name:2,4,5-Trimethylbenzenesulfonic acid
CAS No.:3453-84-7
Molecular Formula:C9H12O3S
Molecular Weight:200.258
Hs Code.:2904100000
European Community (EC) Number:630-948-6
NSC Number:163978
DSSTox Substance ID:DTXSID80304033
Wikidata:Q72513925
Mol file:3453-84-7.mol

Synonyms:2,4,5-trimethylbenzenesulfonic acid;3453-84-7;Benzenesulfonic acid, 2,4,5-trimethyl-;NSC 163978;2,4,5-trimethyl-Benzenesulfonicacid;NSC163978;SCHEMBL2862138;DTXSID80304033;AKOS015890550;NSC-163978;FT-0693069;A18673

Suppliers and Price of 2,4,5-Trimethylbenzenesulfonic acid

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

Sigma-Aldrich
2,4,5-TRIMETHYL-BENZENESULFONIC ACID Aldrich
250mg
$ 144.00

Crysdot
2,4,5-TRIMETHYL-BENZENESULFONIC ACID 95+%
10g
$ 470.00

Chemenu
1,2,4-TriMethyl-5-benzenesulfonicacid 95%
10g
$ 444.00

American Custom Chemicals Corporation
2,4,5-TRIMETHYLBENZENESULFONIC ACID 95.00%
5MG
$ 495.50

Alichem
2,4,5-TRIMETHYL-BENZENESULFONIC ACID
10g
$ 403.20

Alichem
2,4,5-TRIMETHYL-BENZENESULFONIC ACID
5g
$ 236.64

Total 33 raw suppliers

Chemical Property of 2,4,5-Trimethylbenzenesulfonic acid

Chemical Property:

Melting Point:110.5-112℃
Refractive Index:1.545
PSA：62.75000
Density:1.243 g/cm³
LogP:2.93930
Storage Temp.:2-8°C
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:200.05071541
Heavy Atom Count:13
Complexity:265

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-TRIMETHYL-BENZENESULFONIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34
Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC(=C(C=C1C)S(=O)(=O)O)C

Technology Process of 2,4,5-Trimethylbenzenesulfonic acid

There total 10 articles about 2,4,5-Trimethylbenzenesulfonic acid 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: 77.0%

: 95-63-6
1,2,4-Trimethylbenzene

: 3453-84-7
2,4,5-trimethylbenzenesulfonic acid

: 111513-16-7
2,3,5-trimethylbenzene-1-sulfonic acid

Guidance literature:: With sulfuric acid; In water; at 25 ℃;
DOI:10.1002/recl.19871060304

Reference yield: 74.0%

: 95-63-6
1,2,4-Trimethylbenzene

: 3453-84-7
2,4,5-trimethylbenzenesulfonic acid

Guidance literature:: With sulfuric acid; for 0.5h;
DOI:10.1021/acs.inorgchem.5b01924

Reference yield: 4.0%

: 4681-78-1
2,3,5,6-tetramethylbenzene-1-sulfonic acid

: 87-85-4
Hexamethylbenzene

: 3453-84-7
2,4,5-trimethylbenzenesulfonic acid

: 111513-16-7
2,3,5-trimethylbenzene-1-sulfonic acid

: 4681-79-2
2,3,4,5-tetramethylbenzene-1-sulfonic acid

: 40355-65-5
1,2,3,5-tetramethylbenzene-4-sulfonic acid

: 99861-57-1
1,2,3,4,5-pentamethylbenzene-6-sulfonic acid

Guidance literature:: With sulfuric acid; In water; at 25 ℃; for 22.8h; Product distribution; also other reaction times, concentrations of H₂SO₄, temperatures and addendums;
DOI:10.1002/recl.19871060304