2,5-Dichlorobenzyl chloride

Base Information

• Chemical Name: 2,5-Dichlorobenzyl chloride
• CAS No.: 2745-49-5
• Molecular Formula: C7H5Cl3
• Molecular Weight: 195.476
• Hs Code.: 2903999090
• European Community (EC) Number: 220-382-4
• UNII: G46I9555FB
• DSSTox Substance ID: DTXSID80181866
• Nikkaji Number: J91.327H
• Wikidata: Q27278726
• Mol file: 2745-49-5.mol

Synonyms:2,5-Dichlorobenzyl chloride;2745-49-5;1,4-Dichloro-2-(chloromethyl)benzene;1,4-Dichloro-2-chloromethyl-benzene;EINECS 220-382-4;Benzene, 1,4-dichloro-2-(chloromethyl)-;UNII-G46I9555FB;G46I9555FB;2,5-Dichlorobenzylchloride;alpha,2,5-Trichlorotoluene;3,5-Dichloro benzyl chloride;SCHEMBL937350;DTXSID80181866;1,4-Dichloro-2-chloromethylbenzene;CK2311;MFCD00035818;AKOS005216613;AM100609;AS-17532;TOLUENE, .ALPHA.,2,5-TRICHLORO-;(2,5-DICHLOROPHENYL)METHYL CHLORIDE;FT-0610311;FT-0651777;EN300-75049;W-107113;Q27278726

Chemical Property of 2,5-Dichlorobenzyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless to faintly yellow liquid
• Vapor Pressure: 0.044mmHg at 25°C
• Refractive Index: 1.574-1.576
• Boiling Point: 245.849 °C at 760 mmHg
• Flash Point: 155.862 °C
• PSA: 0.00000
• Density: 1.386 g/cm³
• LogP: 3.73220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Not miscible in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 193.945683
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

2,5-DichlorobenzylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CCl)Cl
• Uses: 2,5-Dichlorobenzyl chloride is used as pharmaceutical Intermediates.

Technology Process of 2,5-Dichlorobenzyl chloride

There total 5 articles about 2,5-Dichlorobenzyl chloride 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: 87.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-dichlorobenzene (106-46-7,84348-21-0) → 1,4-Dichloro-2-chloromethyl-benzene (2745-49-5)

Guidance literature:

With benzene-1,3-disulfonyl chloride; at 40 ℃; for 54h; Reagent/catalyst; Temperature;

Reference yield:

2,5-dichlorobenzyl alcohol (34145-05-6) → 1,4-Dichloro-2-chloromethyl-benzene (2745-49-5)

Guidance literature:

With pyridine; thionyl chloride; In benzene;

DOI:10.1016/0031-9422(88)80592-2

Reference yield:

para-dichlorobenzene (106-46-7,84348-21-0) + chloromethyl methyl ether (107-30-2) → 1,4-bis(chloromethyl)-2,5-dichlorobenzene (50987-90-1) + 1,4-Dichloro-2-chloromethyl-benzene (2745-49-5)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 5 ℃;

DOI:10.1139/v55-132

upstream raw materials:

para-dichlorobenzene

chloromethyl methyl ether

2,5-dichlorotoluene

2,5-dichlorobenzyl alcohol

Downstream raw materials:

9-(2,5-dichlorobenzyl)-9H-β-carboline-3-carbaldehyde

[9-(2,5-dichlorobenzyl)-9H-β-carbolin-3-yl]methanol

9-(2,5-dichlorobenzyl)-9H-β-carboline-3-carbohydrazide

3-(1-imidazolylcarbonyl)-9-(2,5-dichlorobenzyl)-9H-β-carboline

Refernces

• 1、 Taylor, David C.,Wightman, Frank,Kazakoff, Clem W.. "METABOLISM OF CHLOROPHENYLALANINES IN CROP AND WEED PLANTS IN RELATION TO THE FORMATION OF POTENTIAL HERBICIDAL END PRODUCTS". . p. 51 - 72. Retrieved 2007/10/02.