Chlorobenzilate

Base Information

• Chemical Name: Chlorobenzilate
• CAS No.: 510-15-6
• Molecular Formula: C16H14 Cl2 O3
• Molecular Weight: 325.191
• Hs Code.: 2918199090
• European Community (EC) Number: 208-110-2
• ICSC Number: 0749
• NSC Number: 404460
• UN Number: 2996
• UNII: H850P004CZ
• DSSTox Substance ID: DTXSID9020299
• Nikkaji Number: J3.285I
• Wikipedia: Chlorobenzilate
• Wikidata: Q2079440
• ChEMBL ID: CHEMBL539904
• Mol file: 510-15-6.mol

Synonyms:chlorobenzilate

Chemical Property of Chlorobenzilate

Chemical Property:

• Appearance/Colour: COLORLESS LIQUID W/ETHER LIKE ODOR
• Vapor Pressure: 5.69E-09mmHg at 25°C
• Melting Point: 37ºC
• Boiling Point: 452.3 °C at 760 mmHg
• PKA: 11.11±0.29(Predicted)
• Flash Point: 227.4 °C
• PSA: 46.53000
• Density: 1.332 g/cm³
• LogP: 3.79240
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 324.0319997
• Heavy Atom Count: 21
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): XnN
• Hazard Codes: XnN

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin. The substance may cause effects on the central nervous system. This may result in impaired functions.

Technology Process of Chlorobenzilate

There total 6 articles about Chlorobenzilate 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:

bromochlorobenzene (106-39-8) + ethyl 2-(4-chlorophenyl)-2-oxoacetate (34966-48-8) → chlorobenzilate (510-15-6)

Guidance literature:

bromochlorobenzene; With magnesium; In diethyl ether; at 20 ℃;

ethyl 2-(4-chlorophenyl)-2-oxoacetate; In diethyl ether; at -78 - 0 ℃;

Reference yield:

bromochlorobenzene (106-39-8) → chlorobenzilate (510-15-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / diethyl ether

1.2: 67 percent / diethyl ether / -78 - 0 °C

2.1: Mg / diethyl ether / 20 °C

2.2: diethyl ether / -78 - 0 °C

With magnesium; In diethyl ether;

Reference yield:

4,4'-dichlorobenzil (3457-46-3,88372-92-3) → chlorobenzilate (510-15-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq.-ethanolic KOH

2: H₂SO₄

With potassium hydroxide; sulfuric acid;

DOI:10.1002/hlca.19550380108

upstream raw materials:

ethanol

bis(4-chlorophenyl)(hydroxy)acetic acid

Dicofol

bromochlorobenzene

Downstream raw materials:

bis(4-chlorophenyl)(hydroxy)acetic acid

3-[2,2-Bis-(4-chloro-phenyl)-2-hydroxy-acetylamino]-propionic acid

3,6-dichloro-9H-fluoren-9-one

Refernces

• 1、 Levy, Amalia,Rakowitz, Amber,Mills, Nancy S.. "Dications of fluorenylidenes. The effect of substituent electronegativity and position on the antiaromaticity of substituted tetrabenzo[5.5]fulvalene dications". . p. 3990 - 3998. Retrieved 2007/10/03.
• 2、 Vaidyanathaswamy,Dureja, P.,Mukerjee, S. K.. "Photoinduced Reaction : Part III - Photodegradation of p,p'-Dichlorodiphenyl-2,2,2-trichloroethanol (Dicofol), an Important Miticide". . p. 866 - 869. Retrieved 2007/10/02.