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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-Nitro-4-[(trifluoromethyl)thio]phenol

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Chemical Name: 2-Nitro-4-[(trifluoromethyl)thio]phenol
CAS Number: 933673-33-7
Product Number: AG00IHJW(AGN-PC-0WCUWF)
Synonyms:
MDL No: MFCD08457463
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
239.168g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
238.986g/mol
Monoisotopic Mass:
238.986g/mol
Topological Polar Surface Area:
91.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
243
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Nitro-4-[(trifluoromethyl)thio]phenol, also known as $name$, is a versatile compound that finds prominent applications in chemical synthesis. This compound serves as a valuable building block in the creation of various organic compounds due to its unique chemical properties. In chemical synthesis, $name$ is commonly utilized as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its nitro group and trifluoromethylthio moiety make it an ideal precursor for the synthesis of complex molecules with diverse functionalities. Furthermore, the presence of the phenolic group in $name$ enables it to participate in a wide range of chemical reactions, including nucleophilic substitutions, aromatic substitutions, and oxidative transformations. As a result, $name$ plays a crucial role in the development of novel compounds with potential applications in the fields of medicine, agriculture, and materials science.