4-Chlorophenyl chloroformate

Base Information

• Chemical Name: 4-Chlorophenyl chloroformate
• CAS No.: 7693-45-0
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.014
• Hs Code.: 29159000
• European Community (EC) Number: 626-526-6
• DSSTox Substance ID: DTXSID60227716
• Nikkaji Number: J654.198D
• Wikidata: Q83107535
• Mol file: 7693-45-0.mol

Synonyms:4-Chlorophenyl chloroformate;7693-45-0;4-Chlorophenyl carbonochloridate;(4-chlorophenyl) carbonochloridate;4-CHLOROPHENYLCHLOROFORMATE;p-Chlorophenyl chloroformate;carbonochloridic acid, 4-chlorophenyl ester;Chloroformic Acid 4-Chlorophenyl Ester;SCHEMBL59462;4-chloro-phenyl chloroformate;4-(chloro)phenyl chloroformate;4-Chlorophenyl chloridocarbonate;DTXSID60227716;4-Chlorophenyl chloridocarbonate #;4-Chlorophenyl chloroformate, 98%;STR07909;MFCD00000638;AKOS015891076;AKOS024438095;C2545;FT-0636569;EN300-270971;FORMIC ACID,CHLORO,(4-CHLOROPHENYL) ESTER;InChI=1/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4

Chemical Property of 4-Chlorophenyl chloroformate

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Melting Point: 30 °C
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 222.6 °C at 760 mmHg
• Flash Point: 106 °C
• PSA: 26.30000
• Density: 1.426 g/cm³
• LogP: 3.07760
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: It is soluble in organic solvents.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.9588348
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorophenyl chloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T；C
• Hazard Codes: T,C
• Statements: 23/24/25-34
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(=O)Cl)Cl
• Uses: It is widely used as an chemical intermediate and in research purpose. 4-Chlorophenyl chloroformate was used in the preparation of N-hydroxy-N-methylcarbamate 4-chlorophenyl ester. 4-Chlorophenyl chloroformate was used in the preparation of N-hydroxy-N-methylcarbamate 4-chlorophenyl ester.

Technology Process of 4-Chlorophenyl chloroformate

There total 13 articles about 4-Chlorophenyl chloroformate 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: 85.0%

4-chloro-phenol (106-48-9,82344-39-6) + triphenylphosphine (603-35-0) → 4-Chlorophenyl chloroformate (7693-45-0)

Guidance literature:

With CoCl₂; In phosgene;

Reference yield: 60.0%

phosgene (75-44-5) + sodium 4-chlorophenolate (1193-00-6) → 4-Chlorophenyl chloroformate (7693-45-0)

Guidance literature:

In toluene; benzene; for 2h; Ambient temperature;

Reference yield: 12.0%

4-chlorophenyl chlorothionoformate (937-64-4) + mercury di- (21799-99-5,34817-63-5) → 4-Chlorophenyl chloroformate (7693-45-0) + perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane) (6141-72-6) + C9H4ClF6NO3 + C9H4ClF6NO2S

Guidance literature:

In trichlorofluoromethane; for 48h; Ambient temperature;

DOI:10.1016/S0022-1139(00)83169-3

upstream raw materials:

phosgene

antipyrine

4-chloro-phenol

sodium 4-chlorophenolate

Downstream raw materials:

ethyl p-chlorophenyl carbonate

But-3-enoic acid 4-chloro-phenyl ester

4-(tert-Butyl-dimethyl-silanyloxymethyl)-2-ethynyl-2H-quinoline-1-carboxylic acid 4-chloro-phenyl ester

Refernces

• 1、 Zhang, Yipin,Dong, Xunqing,Wu, Yanan,Li, Guigen,Lu, Hongjian. "Visible-Light-Induced Intramolecular C(sp2)-H Amination and Aziridination of Azidoformates via a Triplet Nitrene Pathway". supporting information. p. 4838 - 4842. Retrieved 2018/08/24.
• 2、 Romano, Beatriz,Plano, Daniel,Encío, Ignacio,Palop, Juan Antonio,Sanmartín, Carmen. "In vitro radical scavenging and cytotoxic activities of novel hybrid selenocarbamates". . p. 1716 - 1727. Retrieved 2015/03/30.