6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine

Base Information

• Chemical Name: 6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine
• CAS No.: 175136-61-5
• Molecular Formula: C9H8 Cl2 O2
• Molecular Weight: 219.06500
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40380252
• Wikidata: Q82170414
• Mol file: 175136-61-5.mol

Synonyms:6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine;175136-61-5;6-chloro-8-(chloromethyl)benzo-1,3-dioxan;6-Chloro-8-(chloromethyl)-4H-benzo[d][1,3]dioxine;MFCD00053071;6-chloro-8-(chloromethyl)-2,4-dihydro-1,3-benzodioxine;4H-1,3-Benzodioxin,6-chloro-8-(chloromethyl)-;SCHEMBL4150037;DTXSID40380252;VEWSVLVKOXZHGM-UHFFFAOYSA-N;STK735588;AKOS000275989;BP-13203;PS-10654;6-chloro-8-chloromethyl-1,3-benzodioxane;FT-0621061;EN300-06201;6-CHLORO-8-CHLOROMETHYL-4H-BENZO(1,3)DIOXINE;Z56943484

Chemical Property of 6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine

Chemical Property:

• Vapor Pressure: 8.31E-05mmHg at 25°C
• Melting Point: 101oC
• Boiling Point: 351.5oC at 760 mmHg
• Flash Point: 148.9oC
• PSA: 18.46000
• Density: 1.386g/cm3
• LogP: 2.94530
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%Min ^*data from raw suppliers

6-Chloro-8-(chloromethyl)-4H-1,3-benzodioxine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC(=C2)Cl)CCl)OCO1

Technology Process of 6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine

There total 2 articles about 6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-chloro-phenol (106-48-9,82344-39-6) → 6-chloro-8-chloromethyl-4H-benzo[1,3]dioxin (175136-61-5)

Guidance literature:

With hydrogenchloride; sulfuric acid;

DOI:10.1021/ja01861a049

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,6-bis(hydroxymethyl)phenol (2937-59-9) → 6-chloro-8-chloromethyl-4H-benzo[1,3]dioxin (175136-61-5)

Guidance literature:

With hydrogenchloride; sulfuric acid; water;

Reference yield:

BH4- resin + 6-chloro-8-chloromethyl-4H-benzo[1,3]dioxin (175136-61-5) + 2-amino-benzenethiol (137-07-5) → 2-{[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]thio}aniline hydrochloride (565461-38-3)

Guidance literature:

With hydrogenchloride; potassium carbonate; In 1,4-dioxane; methanol; diethyl ether; ethanol; dichloromethane;

upstream raw materials:

formaldehyd

2,6-bis(hydroxymethyl)phenol

4-chloro-phenol

Downstream raw materials:

6-chloro-8-formyl-1,3-benzodioxane

5-chloro-3-formyl-2-hydroxybenzoic acid

6-chloro-8-chloromethyl-benzo[1,3]dioxin-4-one

6-chloro-4-oxo-4H-benzo[1,3]dioxin-8-carbaldehyde