Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester

Base Information

• Chemical Name: Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester
• CAS No.: 34857-66-4
• Molecular Formula: C8H4ClF3O2
• Molecular Weight: 224.567
• European Community (EC) Number: 819-098-9
• DSSTox Substance ID: DTXSID50579534
• Wikidata: Q82470067
• Mol file: 34857-66-4.mol

Synonyms:4-(Trifluoromethyl)phenyl carbonochloridate;34857-66-4;[4-(trifluoromethyl)phenyl] carbonochloridate;4-trifluoromethylphenyl chloroformate;Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester;SCHEMBL2236279;DTXSID50579534;MFCD20483811;4-trifluoromethyl-phenyl chloroformate;AKOS020225855;4-(Trifluoromethyl)phenylcarbonochloridate;SY251281;4-(TRIFLUOROMETHYL)PHENYL CHLOROFORMATE;EN300-281220

Chemical Property of Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.9851915
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)OC(=O)Cl

Technology Process of Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester

There total 3 articles about Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester 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: 71.0%

phosgene (75-44-5) + 4-hydroxybenzotrifluoride (402-45-9) → 4-trifluoromethyl-phenyl chloroformate (34857-66-4)

Guidance literature:

With N,N-dimethyl-aniline; In toluene; at 0 - 25 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201500534

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) + bis(trichloromethyl) carbonate (32315-10-9) → 4-trifluoromethyl-phenyl chloroformate (34857-66-4)

Guidance literature:

With pyridine; In dichloromethane; for 2h;

Reference yield:

→ 4-trifluoromethyl-phenyl chloroformate (34857-66-4)

Guidance literature:

upstream raw materials:

4-hydroxybenzotrifluoride

bis(trichloromethyl) carbonate

phosgene

Downstream raw materials:

C₁₈H₁₅F₃N₂O₃

C₂₀H₁₉F₃N₂O₄

C₁₇H₁₅ClF₃N₃O₂

C₁₈H₁₅F₆N₃O₂

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