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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-amino-3-(trifluoromethoxy)-

N#Cc1ccc(c(c1)OC(F)(F)F)N Request for Quotation
Chemical Name: Benzonitrile, 4-amino-3-(trifluoromethoxy)-
CAS Number: 175278-23-6
Product Number: AG0020UM(AGN-PC-0KK7GU)
Synonyms:
MDL No:
Molecular Formula: C8H5F3N2O
Molecular Weight: 202.1333

Identification/Properties

Properties
MP:
72 °C
BP:
248.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
202.136g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
202.035g/mol
Monoisotopic Mass:
202.035g/mol
Topological Polar Surface Area:
59A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
245
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Amino-3-(trifluoromethoxy)benzonitrile is a versatile compound used in various chemical synthesis applications. It is commonly employed as a building block in the preparation of pharmaceuticals, agrochemicals, and other fine chemicals. Due to its unique structure and properties, this compound serves as a key intermediate in the synthesis of complex molecules with diverse biological activities. In the pharmaceutical industry, 4-Amino-3-(trifluoromethoxy)benzonitrile is utilized in the development of novel drug candidates targeting a range of therapeutic areas. Additionally, its presence in agrochemical synthesis contributes to the production of advanced crop protection products. The precise and selective reactivity of this compound makes it a valuable tool for chemists engaged in the design and optimization of functional molecules for various applications.