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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-fluoro-3-(trifluoromethyl)-

N#Cc1ccc(c(c1)C(F)(F)F)F Request for Quotation
Chemical Name: Benzonitrile, 4-fluoro-3-(trifluoromethyl)-
CAS Number: 67515-59-7
Product Number: AG003LDT(AGN-PC-0JMTSC)
Synonyms:
MDL No: MFCD00061284
Molecular Formula: C8H3F4N
Molecular Weight: 189.1097

Identification/Properties

Properties
MP:
66 °C
BP:
202.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
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#:
N/A
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Fluoro-3-(trifluoromethyl)benzonitrile is a versatile compound widely used in chemical synthesis as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials. Its unique structure provides the necessary functionality for introducing both fluorine and cyano groups into organic molecules. In organic synthesis, this compound serves as a crucial intermediate for the preparation of complex molecules with specific properties and functionalities. Its trifluoromethyl group imparts enhanced lipophilicity and metabolic stability to the final products, making it particularly valuable in drug discovery and development. Additionally, the fluorine atom can act as a handle for further functionalization, allowing for the creation of tailored molecules with desired biological activities or material properties. Overall, 4-Fluoro-3-(trifluoromethyl) benzonitrile plays a vital role in the advancement of synthetic chemistry and the development of innovative compounds for various applications.