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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)-

5-​(Trifluoromethyl)​isoindoline hydrochloride

FC(c1ccc2c(c1)CNC2)(F)F.Cl Request for Quotation
Chemical Name: 5-​(Trifluoromethyl)​isoindoline hydrochloride
CAS Number: 924304-74-5
Product Number: AG0039HH(AGN-PC-0WAKB2)
Synonyms:
MDL No:
Molecular Formula: C9H9ClF3N
Molecular Weight: 223.6227

Identification/Properties

Computed Properties
Molecular Weight:
223.623g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
223.038g/mol
Monoisotopic Mass:
223.038g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
190
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:
2
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
1759
Hazard Statements:
H302-H318
Precautionary Statements:
P280-P305+P351+P338
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-(Trifluoromethyl)isoindoline hydrochloride is a versatile compound widely used in chemical synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its unique structure and reactivity make it a valuable building block for the synthesis of complex organic molecules with diverse applications.One of the key applications of 5-(Trifluoromethyl)isoindoline hydrochloride is in the synthesis of bioactive compounds. By incorporating this compound into a chemical reaction, chemists can introduce the trifluoromethyl group into the target molecule, enhancing its biological activity and improving its performance as a pharmaceutical or agrochemical agent. The trifluoromethyl group is known for its ability to influence the properties of organic compounds, making them more potent, stable, and selective in their interactions with biological targets.Furthermore, 5-(Trifluoromethyl)isoindoline hydrochloride can serve as a valuable intermediate in the synthesis of complex natural products and drug candidates. Its incorporation into the molecular structure of these compounds can lead to improved pharmacokinetic properties, increased metabolic stability, and enhanced bioavailability, making them more attractive for further development as potential therapeutics.Overall, the versatility and reactivity of 5-(Trifluoromethyl)isoindoline hydrochloride make it a valuable tool in the toolbox of synthetic chemists, enabling the synthesis of novel molecules with enhanced biological activity and potential for a wide range of applications in the pharmaceutical and agrochemical industries.