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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)-

Benzeneacetonitrile, 2-(trifluoromethyl)-

N#CCc1ccccc1C(F)(F)F Request for Quotation
Chemical Name: Benzeneacetonitrile, 2-(trifluoromethyl)-
CAS Number: 3038-47-9
Product Number: AG002ZXI(AGN-PC-0JLQ12)
Synonyms:
MDL No:
Molecular Formula: C9H6F3N
Molecular Weight: 185.1458

Identification/Properties

Properties
MP:
32-35 °C(lit.)
BP:
213°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4630
Computed Properties
Molecular Weight:
185.149g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
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:
213
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#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(Trifluoromethyl)phenylacetonitrile is a versatile compound widely used in chemical synthesis for the preparation of various organic molecules. Its unique trifluoromethyl group imparts distinct properties to the resulting compounds, making it valuable in medicinal chemistry, materials science, and agrochemical research. This compound serves as a key building block for the synthesis of pharmaceuticals, pesticides, and advanced materials due to its ability to introduce fluorine atoms into organic structures, enhancing their biological activity or material properties. In addition, 2-(Trifluoromethyl)phenylacetonitrile is an important intermediate in the synthesis of diverse molecules such as fluorinated aromatics, amino acids, and heterocycles, making it a valuable tool for organic chemists in designing and creating novel compounds for various applications.