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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)-

Benzene, 1-(isocyanatomethyl)-4-(trifluoromethyl)-

O=C=NCc1ccc(cc1)C(F)(F)F Request for Quotation
Chemical Name: Benzene, 1-(isocyanatomethyl)-4-(trifluoromethyl)-
CAS Number: 102422-55-9
Product Number: AG0007G5(AGN-PC-03O8YC)
Synonyms:
MDL No:
Molecular Formula: C9H6F3NO
Molecular Weight: 201.1452

Identification/Properties

Computed Properties
Molecular Weight:
201.148g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
201.04g/mol
Monoisotopic Mass:
201.04g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
14
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

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P301+P312+P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Trifluoromethylbenzylisocyanate is a versatile compound that finds widespread application in chemical synthesis. Due to its unique structure and reactivity, this compound serves as a valuable building block for the preparation of various organic molecules. In particular, 4-Trifluoromethylbenzylisocyanate is commonly used in the synthesis of pharmaceuticals, agrochemicals, and materials.This compound is known for its ability to undergo a diverse range of chemical reactions, making it a valuable tool for organic chemists. One important use of 4-Trifluoromethylbenzylisocyanate is in the formation of ureas and carbamates through its reaction with amines and alcohols, respectively. This allows for the introduction of the trifluoromethylbenzyl group into a wide range of organic molecules, resulting in compounds with unique properties and enhanced biological activities.Additionally, 4-Trifluoromethylbenzylisocyanate can participate in transformations such as nucleophilic addition, acylation, and condensation reactions, further expanding its synthetic utility. Its trifluoromethyl group can also impart desirable properties to the final products, such as increased lipophilicity and metabolic stability in drug molecules.Overall, the applications of 4-Trifluoromethylbenzylisocyanate in chemical synthesis are diverse and significant, offering chemists a powerful tool for the construction of complex organic molecules with various functionalities.