4,6-Bis(chloromethyl)-m-xylene

Base Information

• Chemical Name: 4,6-Bis(chloromethyl)-m-xylene
• CAS No.: 1585-15-5
• Molecular Formula: C10H12 Cl2
• Molecular Weight: 203.111
• Hs Code.: 2903999090
• European Community (EC) Number: 621-140-4
• NSC Number: 33591,2839
• DSSTox Substance ID: DTXSID80935927
• Nikkaji Number: J1.514.543I
• Wikidata: Q82912031
• Mol file: 1585-15-5.mol

Synonyms:4,6-Bis(chloromethyl)-m-xylene;1585-15-5;1,5-Bis(chloromethyl)-2,4-dimethylbenzene;Benzene, 1,5-bis(chloromethyl)-2,4-dimethyl-;1,6-dimethylbenzene;1,5-DI(CHLOROMETHYL)-2,4-DIMETHYLBENZENE;1,3-Bis(chloromethyl)-4,6-dimethylbenzene;1,6-bis(chloromethyl)benzene;Benzene,5-bis(chloromethyl)-2,4-dimethyl-;NSC2839;1,5-bis-(Chloromethyl)-2,4-dimethylbenzene;SCHEMBL1336683;4,6-di(Chloromethyl)-m-xylene;DTXSID80935927;NSC 2839;NSC-2839;NSC33591;MFCD00013680;NSC 33591;NSC-33591;AKOS004907552;1,3-Bis-(chlormethyl)-4,6-dimethylbenzol;1,3-Dimethyl-4,6-bis(chloromethyl)benzene;FT-0617227;Benzene, 1,3-bis-(chloromethyl)-4,6-dimethyl;1,5-bis(chloromethyl)-2,4-dimethylbenzene (en)

Chemical Property of 4,6-Bis(chloromethyl)-m-xylene

Chemical Property:

• Vapor Pressure: 0.0033mmHg at 25°C
• Melting Point: 97 °C
• Boiling Point: 291.9°Cat760mmHg
• Flash Point: 142.6°C
• PSA: 0.00000
• Density: 1.145g/cm³
• LogP: 3.78100
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 202.0316058
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

98%min ^*data from raw suppliers

4,6-bis(chloromethyl)-m-xylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1CCl)CCl)C

Technology Process of 4,6-Bis(chloromethyl)-m-xylene

There total 10 articles about 4,6-Bis(chloromethyl)-m-xylene 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: 93.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + m-xylene (108-38-3,104809-90-7) → 4,6-bis(chloromethyl)-m-xylene (1585-15-5)

Guidance literature:

With hydrogenchloride; In water; methyl cyclohexane; at 60 ℃; for 8h;

DOI:10.1007/BF03246210

Reference yield: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + m-xylene (108-38-3,104809-90-7) → 4,6-bis(chloromethyl)-m-xylene (1585-15-5) + 2,4-dimethyl-benzyl chloride (824-55-5)

Guidance literature:

With hydrogenchloride; 1-ethyl-3-methylimidazolium hexafluorophosphate; at 70 ℃; for 5h; Time; Reagent/catalyst; Ionic liquid;

DOI:10.4067/S0717-97072013000400063

Reference yield: 82.0%

chloromethyl methyl ether (107-30-2) + m-xylene (108-38-3,104809-90-7) → 4,6-bis(chloromethyl)-m-xylene (1585-15-5)

Guidance literature:

With zinc(II) chloride; at 20 ℃; for 0.166667h;

DOI:10.3184/030823409X465222

upstream raw materials:

formaldehyd

m-xylene

1,3,5-Trioxan

o-xylene

Downstream raw materials:

1,5-Dimethyl-2,4-bis[(diethoxyphosphoryl)methyl]benzene

1,2,4,5-tetra(chloromethyl)benzene

1,5-bis(mercaptomethyl)-2,4-dimethylbenzene

1,5-Dimethyl-2,4-dihydroxymethyl-3,6-dichlor-benzol

Refernces

• 1、 Chippindale, Ann M.,Christie, William,Gavriel, Alexander G.,German, Ian M.,Hayes, Wayne,O'Donnell, Adam D.. "Conformational control of bis-urea self-assembled supramolecular pH switchable low-molecular-weight hydrogelators". . . Retrieved 2021/11/03.
• 2、 Qvortrup, Katrine,Jensen, Jakob F.,S?rensen, Mikael S.,Kouskoumvekaki, Irene,Petersen, Rasmus K.,Taboureau, Olivier,Kristiansen, Karsten,Nielsen, Thomas E.. "Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPAR? partial agonists". . . Retrieved 2017/03/09.