alpha,4-Dichloroanisole

Base Information

• Chemical Name: alpha,4-Dichloroanisole
• CAS No.: 21151-56-4
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 2909309090
• European Community (EC) Number: 244-246-9
• DSSTox Substance ID: DTXSID10175394
• Nikkaji Number: J226.152I
• Mol file: 21151-56-4.mol

Synonyms:alpha,4-Dichloroanisole;1-Chloro-4-(chloromethoxy)benzene;21151-56-4;Benzene, 1-chloro-4-(chloromethoxy)-;.alpha.,para-Dichloroanisole;alpha ,4-Dichloroanisole;a,4-DICHLOROANISOLE;.alpha.,4-Dichloroanisole;4-chlorophenoxychloromethane;alpha-Chloro-p-chloroanisole;4-chlorophenoxymethyl chloride;SCHEMBL152253;alpha,4-Dichloroanisole, 97%;1-chloromethoxy-4-chlorobenzene;1-chloromethoxy-4-chloro-benzene;DTXSID10175394;EINECS 244-246-9;1-Chloro-4-(chloromethoxy)benzene #;AKOS015891574;FT-0719597;J-013884

Chemical Property of alpha,4-Dichloroanisole

Chemical Property:

• Vapor Pressure: 0.0569mmHg at 25°C
• Melting Point: 29-30oC(lit.)
• Refractive Index: n20/D 1.552(lit.)
• Boiling Point: 241°Cat760mmHg
• Flash Point: 119°C
• PSA: 9.23000
• Density: 1.294g/cm³
• LogP: 2.91510
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.9795702
• Heavy Atom Count: 10
• Complexity: 89.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

α,4-Dichloroanisole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCl)Cl

Technology Process of alpha,4-Dichloroanisole

There total 12 articles about alpha,4-Dichloroanisole 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: 90.0%

4-Chlorophenoxyacetic acid (122-88-3) → p-chlorophenoxymethyl chloride (21151-56-4)

Guidance literature:

With tert-butylhypochlorite; silver triflate-bis(1,10-phenanthroline) complex; In acetonitrile; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ja210361z

Reference yield: 85.0%

(4-chloro-phenoxy)-(4-chloro-phenylsulfanyl)-methane (68360-45-2) → p-chlorophenoxymethyl chloride (21151-56-4) + 4-chloro-benzenesulfenyl chloride (933-01-7)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; for 0.166667h;

Reference yield: 83.0%

4-chlorophenyloxyacetyl chloride (4122-68-3) → p-chlorophenoxymethyl chloride (21151-56-4)

Guidance literature:

With Wilkinson's catalyst; at 170 ℃; for 0.5h;

upstream raw materials:

4-chloromethoxybenzene

(4-chloro-phenoxy)-methanesulfonic acid

tetrachloromethane

bis(4-methoxybenzoyl) peroxide

Downstream raw materials:

1-chloro-4-[(phenylsulfanyl)methoxy]benzene

4-(4-chloro-phenoxymethoxy)-benzonitrile

4-chlorophenyl trichloromethyl ether

4-chlorophenyl dichloromethyl ether