3-(Chloromethyl)-1,2,4,5-tetramethylbenzene

Base Information

• Chemical Name: 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene
• CAS No.: 7435-83-8
• Molecular Formula: C11H15 Cl
• Molecular Weight: 182.693
• Hs Code.: 2903999090
• European Community (EC) Number: 231-087-5
• NSC Number: 85458
• DSSTox Substance ID: DTXSID40225356
• Nikkaji Number: J54.873A
• Wikidata: Q83104304
• Mol file: 7435-83-8.mol

Synonyms:7435-83-8;3-(Chloromethyl)-1,2,4,5-tetramethylbenzene;2,3,5,6-TETRAMETHYLBENZYL CHLORIDE;Benzene, 3-(chloromethyl)-1,2,4,5-tetramethyl-;2,3,5,6-Tetramethylbenzylchloride;EINECS 231-087-5;NSC 85458;BRN 1863560;4-05-00-01111 (Beilstein Handbook Reference);NSC85458;NCIOpen2_000970;SCHEMBL2268447;DTXSID40225356;MFCD00013679;NSC-85458;STL163940;ZB1454;2,3,5,6-Tetramethyl benzyl chloride;AKOS002664708;LS-29507;3-Chloromethyl-1,2,4,5-tetramethyl-benzene;FT-0609442;A21310;3-(chloromethyl)-1,2,4,5-tetramethylbenzene (en);J-640283;J-800282;F0781-0011

Chemical Property of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene

Chemical Property:

• Melting Point: 70-71°C
• Boiling Point: 143-144 °C(Press: 18 Torr)
• PSA: 0.00000
• Density: 1.002±0.06 g/cm3(Predicted)
• LogP: 3.65900
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 182.0862282
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

2,3,5,6-TETRAMETHYLBENZYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 34-36/37
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)CCl)C)C

Technology Process of 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene

There total 6 articles about 3-(Chloromethyl)-1,2,4,5-tetramethylbenzene 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:

1,2,4,5-tetramethylbenzene (95-93-2) + chloromethyl methyl ether (107-30-2) → 3-(chloromethyl)-1,2,4,5-tetramethylbenzene (7435-83-8)

Guidance literature:

With carbon disulfide; tin(IV) chloride; at -5 ℃;

DOI:10.1021/ja01119a050

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,2,4,5-tetramethylbenzene (95-93-2) → 3-(chloromethyl)-1,2,4,5-tetramethylbenzene (7435-83-8)

Guidance literature:

With hydrogenchloride; at 65 ℃; Einleiten von HCl;

DOI:10.1021/ja01855a033

Reference yield:

1,2,4,5-tetramethylbenzene (95-93-2) → 3-(chloromethyl)-1,2,4,5-tetramethylbenzene (7435-83-8) + 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene (3022-16-0)

Guidance literature:

With hydrogenchloride; formaldehyd; acetic acid;

DOI:10.1021/ja01161a096

upstream raw materials:

formaldehyd

1,2,4,5-tetramethylbenzene

chloromethyl methyl ether

2,3,5,6-tetramethylphenylmagnesium bromide

Downstream raw materials:

2-(2,3,5,6-tetramethylphenyl)acetonitrile

Dimethyl-(2,3,5,6-tetramethyl-benzyl)-[2-(2,3,5,6-tetramethyl-phenoxy)-ethyl]-ammonium; chloride

Dimethyl-(2,3,5,6-tetramethyl-benzyl)-[2-(2,3,5,6-tetramethyl-phenylsulfanyl)-ethyl]-ammonium; chloride

1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene