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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, 4-methyl-3-(trifluoromethyl)-

N#Cc1ccc(c(c1)C(F)(F)F)C Request for Quotation
Chemical Name: Benzonitrile, 4-methyl-3-(trifluoromethyl)-
CAS Number: 261952-06-1
Product Number: AG002S7B(AGN-PC-0KKWYT)
Synonyms:
MDL No:
Molecular Formula: C9H6F3N
Molecular Weight: 185.1458

Identification/Properties

Properties
MP:
60-62°C
BP:
220°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
185.149g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
185.045g/mol
Monoisotopic Mass:
185.045g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
225
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


4-Methyl-3-(trifluoromethyl)benzonitrile is a versatile chemical compound widely utilized in chemical synthesis as a key building block. With its unique structural properties, this compound plays a crucial role in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group imparts distinct reactivity and stability, making it valuable in medicinal chemistry for developing bioactive molecules. Furthermore, the benzonitrile moiety enables efficient cross-coupling reactions, facilitating the construction of complex molecular frameworks. This compound's significance in synthetic chemistry lies in its ability to serve as a strategic intermediate for the synthesis of diverse functionalized compounds with broad applications across different industries.