3,5-Dichlorobenzyl chloride

Base Information

• Chemical Name: 3,5-Dichlorobenzyl chloride
• CAS No.: 3290-06-0
• Molecular Formula: C7H5Cl3
• Molecular Weight: 195.476
• Hs Code.: 2903999090
• European Community (EC) Number: 638-918-4
• UNII: C076I19EQL
• DSSTox Substance ID: DTXSID00954554
• Nikkaji Number: J91.329D
• Wikidata: Q27275002
• Mol file: 3290-06-0.mol

Synonyms:3,5-Dichlorobenzyl chloride;1,3-Dichloro-5-(chloromethyl)benzene;3290-06-0;Benzene, 1,3-dichloro-5-(chloromethyl)-;MFCD00060278;C076I19EQL;1-Chloromethyl-3,5-dichlorobenzene;3,5-Dichlorobenzylchloride;UNII-C076I19EQL;Toluene, .alpha.,3,5-trichloro-;3,5-Chlorobenzyl chloride;SCHEMBL131126;3,5-dichlorophenylmethyl chloride;DTXSID00954554;1,3-Dichloro-5-chloromethylbenzene;STR03191;1,3-Dichloro-5-chloromethyl-benzene;BBL102189;SC5016;STL555988;AKOS009159296;AB02384;1,3-Dichloro-5-(chloromethyl)benzene #;SY029006;1,3-bis(chloranyl)-5-(chloromethyl)benzene;AM20060799;CS-0020159;FT-0606646;EN300-103245;A821508;J-018929;Q27275002;F0001-0976

Chemical Property of 3,5-Dichlorobenzyl chloride

Chemical Property:

• Appearance/Colour: off-white solid.
• Vapor Pressure: 0.0386mmHg at 25°C
• Melting Point: 35°C
• Refractive Index: 1.563
• Boiling Point: 248.3 °C at 760 mmHg
• Flash Point: 158 °C
• PSA: 0.00000
• Density: 1.386 g/cm³
• LogP: 3.73220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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: 95

Purity/Quality:

1,3-Dichloro-5-(chloromethyl)benzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)CCl

Technology Process of 3,5-Dichlorobenzyl chloride

There total 5 articles about 3,5-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: 98.8%

3,5-dichlorobenzoic acid (51-36-5) → 1,3-dichloro-5-chloromethyl-benzene (3290-06-0)

Guidance literature:

3,5-dichlorobenzoic acid; With sodium tetrahydroborate; In tetrahydrofuran; at 60 ℃; for 0.2h; Inert atmosphere;

With potassium chloride; In tetrahydrofuran; at 110 ℃; for 4h; under 1520.1 Torr; Temperature; Reagent/catalyst; Solvent; Pressure; Sonication; Inert atmosphere;

Reference yield: 82.0%

3,5-dichlorobenzyl alcohol (60211-57-6) → 1,3-dichloro-5-chloromethyl-benzene (3290-06-0)

Guidance literature:

With thionyl chloride; at 60 ℃; for 2h;

Reference yield:

→ 3-oxo-pentanenitrile (33279-01-5) + 1,3-dichloro-5-chloromethyl-benzene (3290-06-0)

Guidance literature:

upstream raw materials:

3,5-dichlorobenzyl alcohol

3,5-dichlorobenzoic acid

3,5-dichlorobenzaldehyde

Downstream raw materials:

ethyl 4-(3,5-dichlorophenyl)-2-ethyl-3-oxobutyrate

6-(3,5-dichlorobenzyl)-5-ethyluracil

6-(3,5-dichlorobenzyl)-5-ethyl-2-thiouracil

3,5-dichlorophenylacetonitrile

Refernces

• 1、 -. "Synthesis method for herbicide oxaziclomefone intermediate 3,5-dichlorobenzyl chloride". Paragraph 0008; 0026-0048. . Retrieved 2019/02/04.
• 2、 Nishiwaki, Hisashi,Nakagawa, Yoshiaki,Takeda, David Y.,Okazawa, Atsushi,Akamatsu, Miki,Miyagawa, Hisashi,Ueno, Tamio,Nishimura, Keiichiro. "Binding activity of substituted benzyl derivatives of chloronicotinyl insecticides to housefly-head membranes, and its relationship to insecticidal activity against the housefly Musca domestica". . p. 875 - 881. Retrieved 2007/10/03.