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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)-

Benzonitrile, 2-fluoro-6-(trifluoromethyl)-

N#Cc1c(F)cccc1C(F)(F)F Request for Quotation
Chemical Name: Benzonitrile, 2-fluoro-6-(trifluoromethyl)-
CAS Number: 133116-83-3
Product Number: AG0014AS(AGN-PC-0JMUMZ)
Synonyms:
MDL No:
Molecular Formula: C8H3F4N
Molecular Weight: 189.1097

Identification/Properties

Properties
MP:
26-28 °C
BP:
197.4 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.452(lit.)
Computed Properties
Molecular Weight:
189.113g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
189.02g/mol
Monoisotopic Mass:
189.02g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
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

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Fluoro-6-(trifluoromethyl)benzonitrile is a versatile compound that finds applications in chemical synthesis, particularly in the field of pharmaceuticals and agrochemicals. With its unique structure incorporating both a fluoro and trifluoromethyl group, this compound serves as a valuable building block for the creation of complex molecules with enhanced properties.In chemical synthesis, 2-Fluoro-6-(trifluoromethyl)benzonitrile can be used as a key intermediate in the preparation of various bioactive compounds. Its functional groups can be readily manipulated to introduce desired functionalities, making it useful for the development of new drugs, pesticides, and other biologically active molecules.Furthermore, the presence of the fluoro and trifluoromethyl groups in this compound can impart desirable properties such as increased lipophilicity, metabolic stability, and biological activity to the final products. This can be crucial in enhancing the efficacy and safety profiles of the synthesized compounds.Overall, the strategic incorporation of 2-Fluoro-6-(trifluoromethyl)benzonitrile in chemical synthesis processes allows for the efficient construction of diverse molecular scaffolds with potential applications in the pharmaceutical and agrochemical industries.