2-Bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile

Base Information

Chemical Name:2-Bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile
CAS No.:64695-85-8
Molecular Formula:C₁₃H₆BrClFNS
Molecular Weight:342.619
Hs Code.:
DSSTox Substance ID:DTXSID401212042
Mol file:64695-85-8.mol

Synonyms:2-bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile;2-bromo-4-(4-chlorophenyl)sulfanyl-5-fluorobenzonitrile;DTXSID401212042;64695-85-8;AE-641/06283003;2-Bromo-4-[(4-chlorophenyl)thio]-5-fluorobenzonitrile

Suppliers and Price of 2-Bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 2-Bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile

Chemical Property:

Melting Point:150 - 152 °C (petroleum ether)
PSA：49.09000
LogP:5.26448
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:340.90769
Heavy Atom Count:18
Complexity:326

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1SC2=C(C=C(C(=C2)Br)C#N)F)Cl

Technology Process of 2-Bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile

There total 3 articles about 2-Bromo-4-[(4-chlorophenyl)sulfanyl]-5-fluorobenzonitrile 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:

: 64695-82-5
2-bromo-4,5-difluorobenzonitrile

: 18803-44-6
sodium p-chlorothiophenolate

: 64695-85-8
2-Bromo-4-(4-chloro-phenylsulfanyl)-5-fluoro-benzonitrile

Guidance literature:: With copper; In N,N-dimethyl-formamide; at 150 ℃;
DOI:10.1135/cccc19772001

Reference yield:

: 321-17-5
1-bromo-4,5-difluoro-2-nitrobenzene

: 64695-85-8
2-Bromo-4-(4-chloro-phenylsulfanyl)-5-fluoro-benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: Fe, aq. NH₄Cl / Heating

2: (i) aq. NaNO₂, H₂SO₄, (ii) /BRN= 4652394/, CuSO₄, aq. NH₃, CHCl₃

3: Cu / dimethylformamide / 150 °C

With iron; copper; ammonium chloride; In N,N-dimethyl-formamide;
DOI:10.1135/cccc19772001

Reference yield:

: 64695-79-0
2-bromo-4,5-difluoro-aniline

: 64695-85-8
2-Bromo-4-(4-chloro-phenylsulfanyl)-5-fluoro-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: (i) aq. NaNO₂, H₂SO₄, (ii) /BRN= 4652394/, CuSO₄, aq. NH₃, CHCl₃

2: Cu / dimethylformamide / 150 °C

With copper; In N,N-dimethyl-formamide;
DOI:10.1135/cccc19772001