3,4-Dichlorobenzyl chloride

Base Information

• Chemical Name: 3,4-Dichlorobenzyl chloride
• CAS No.: 102-47-6
• Molecular Formula: C7H5Cl3
• Molecular Weight: 195.476
• Hs Code.: 29036990
• European Community (EC) Number: 203-033-0
• NSC Number: 406893
• UNII: 451PB8SMIE
• DSSTox Substance ID: DTXSID9059252
• Nikkaji Number: J91.328F
• Wikidata: Q27258794
• Mol file: 102-47-6.mol

Synonyms:3,4-Dichlorobenzyl chloride;102-47-6;1,2-DICHLORO-4-(CHLOROMETHYL)BENZENE;Benzene, 1,2-dichloro-4-(chloromethyl)-;alpha,3,4-Trichlorotoluene;1,2-Dichloro-4-chloromethyl-benzene;.alpha.,3,4-Trichlorotoluene;Toluene, .alpha.,3,4-trichloro-;UNII-451PB8SMIE;451PB8SMIE;EINECS 203-033-0;3,4-dichloro-1-(chloromethyl)benzene;NSC 406893;NSC-406893;AI3-14887;3,4-Dichlorophenylmethyl chloride;3,4-dichlorobenzylchloride;A,3,4-TRICHLOROTOLUENE;Toluene,3,4-trichloro-;3,4-dichlorobenzylchoride;alpha-3,4-trichlortoluen;3,4dichlorobenzyl chloride;3,4-diclorobenzyl chloride;3,4-dichloro benzylchloride;C(Cl)c1ccc(Cl)c(Cl)c1;SCHEMBL407334;DTXSID9059252;Toluene, alpha,3,4-trichloro-;1,2-Dichloro-4-chloromethylbenzene;3,4-Dichlorobenzyl chloride, 97%;4-chloromethyl-1,2-dichloro-benzene;BBL014075;MFCD00000906;NSC406893;STK397517;1,2-dichloro-4-(chioromethyl)benzene;3,4,.ALPHA.-TRICHLOROTOLUENE;AKOS000119571;Benzene, 3,4-dichloro-1-chloromethyl;Benzene,2-dichloro-4-(chloromethyl)-;AM90450;1,2-dichloro-4-(chloromethyl)-benzene;AS-10900;BP-21046;4-CHLOROMETHYL-1,2-DICHLOROBENZENE;FT-0631548;T0401;EN300-18359;A800576;W-108870;Q27258794;F0001-0068;1,2-dichloro-4-(chloromethyl)benzene

Chemical Property of 3,4-Dichlorobenzyl chloride

Chemical Property:

• Appearance/Colour: Clear to yellowish liquid
• Vapor Pressure: 0.057mmHg at 25°C
• Melting Point: -3 °C
• Refractive Index: n20/D 1.577(lit.)
• Boiling Point: 241 °C at 760 mmHg
• Flash Point: 160.2 °C
• PSA: 0.00000
• Density: 1.386 g/cm³
• LogP: 3.73220
• Storage Temp.: Store below +30°C.
• XLogP3: 4
• 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

3,4-Dichlorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
• Uses: 3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole

Technology Process of 3,4-Dichlorobenzyl chloride

There total 8 articles about 3,4-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:

3,4-dichlorobenzyl alcohol (1805-32-9) → 3,4-Dichlorophenylmethyl chloride (102-47-6)

Guidance literature:

With thionyl chloride; In toluene; for 0.0833333h; Ambient temperature;

DOI:10.1021/jm980572i

Reference yield:

3,4-dichlorobenzaldehyde (6287-38-3) → 3,4-Dichlorophenylmethyl chloride (102-47-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / methanol / Ambient temperature

2: SOCl₂ / toluene / 0.08 h / Ambient temperature

With sodium tetrahydroborate; thionyl chloride; In methanol; toluene;

DOI:10.1021/jm980572i

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,2-dichloro-benzene (95-50-1) → 3,4-Dichlorophenylmethyl chloride (102-47-6)

Guidance literature:

With hydrogenchloride; zinc(II) chloride;

DOI:10.1021/ja01159a040

upstream raw materials:

3,4-Dichlorotoluene

benzyl chloride

formaldehyd

1,2-dichloro-benzene

Downstream raw materials:

5-(3,4-dichloro-benzyl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine

4-(3,4-Dichlorbenzyloxy)-benzonitril

4-Chlor-3-methyl-6-<3,4-dichlor-benzyl>-phenol

1-[2-(3,4-Dichloro-benzyloxy)-phenyl]-butan-1-one

Refernces

• 1、 -. "N-(Substituted sulfonyl)benzamide derivative and preparation method and pharmaceutical application thereof". Paragraph 0677; 0679-0683. . Retrieved 2019/04/17.
• 2、 Rosowsky, Andre,Papoulis, Andrew T.,Forsch, Ronald A.,Queener, Sherry F.. "Synthesis and antiparasitic and antitumor activity of 2,4-diamino-6- (arylmethyl)-5,6,7,8-tetrahydroquinazoline analogues of piritrexim". . p. 1007 - 1017. Retrieved 2007/10/03.