Phenyl(trichloromethyl)mercury

Base Information

• Chemical Name: Phenyl(trichloromethyl)mercury
• CAS No.: 3294-57-3
• Molecular Formula: C7H5 Cl3 Hg
• Molecular Weight: 396.066
• Hs Code.: 2931900090
• European Community (EC) Number: 221-960-9
• NSC Number: 203158
• UNII: JH955G783H
• DSSTox Substance ID: DTXSID1062964
• Wikipedia: Phenyl(trichloromethyl)mercury
• Mol file: 3294-57-3.mol

Synonyms:Phenyl(trichloromethyl)mercury;3294-57-3;Trichloromethylphenylmercury;Mercury, phenyl(trichloromethyl)-;JH955G783H;EINECS 221-960-9;NSC 203158;NSC-203158;NSC203158;C7H5Cl3Hg;C(Cl)(Cl)Cl.c1ccccc1;C7-H5-Cl3-Hg;UNII-JH955G783H;SCHEMBL1998565;DTXSID1062964;AMY25144;FT-0708157

Chemical Property of Phenyl(trichloromethyl)mercury

Chemical Property:

• Melting Point: 111-114 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 3.14200
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 395.916327
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

PHENYL TRICHLOROMETHYL MERCURY Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+,N
• Statements: 26/27/28-33-50/53
• Safety Statements: 13-28-36-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[Hg]C(Cl)(Cl)Cl

Technology Process of Phenyl(trichloromethyl)mercury

There total 7 articles about Phenyl(trichloromethyl)mercury 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: 81.0%

chloroform (67-66-3,8013-54-5) + phenylmercury(II) chloride (100-56-1) → phenyltrichloromethylmercury (3294-57-3)

Guidance literature:

With potassium hydroxide; In chloroform; water; an aq. KOH soln. was added to react. mixt. at 20 °C; washed (H2O), extd. (Et2O), org. layer was dried (anhyd. Na2SO4), filtered, solvent was removed by rotary evapn., recrystd. (Et2O/petroleum ether);

Reference yield: 20.0%

trichloromethyltrifluorosilane (1840-40-0) → phenyltrichloromethylmercury (3294-57-3)

Guidance literature:

With PhHgOCOCH₃; In benzene; byproducts: F3SiOCOCH3; addn. of (trichloromethyl)trifluorosilane to soln. of PhHgOCOCH3 in dry benzene, (temp.: 20°C, 1 h); filtration;

DOI:10.1016/0022-328X(88)89077-6

Reference yield: 20.0%

trichloromethyltrifluorosilane (1840-40-0) + phenylmercuric acetate (62-38-4,8013-47-6) → phenyltrichloromethylmercury (3294-57-3)

Guidance literature:

In benzene; byproducts: F3SiOCOCH3; soln. of PhHgAc treated with excess CCl3SiF3 (20°C, 1h), pptn.; ppt. filtered;

upstream raw materials:

phenylmercury(II) chloride

chloroform

trichloromethyltrifluorosilane

phenylmercuric acetate

Downstream raw materials:

1,2,3,3-tetrachlorocyclopropene

N-phenyl-N-(1,2,2-trichlorovinyl)aniline

trichloromethyl-trimethyl tin

tetracobaltdodecacarbonyl

Refernces