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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-fluoro-2-(isocyanatomethyl)-

O=C=NCc1ccccc1F Request for Quotation
Chemical Name: Benzene, 1-fluoro-2-(isocyanatomethyl)-
CAS Number: 132740-44-4
Product Number: AG001130(AGN-PC-0JU8L8)
Synonyms:
MDL No:
Molecular Formula: C8H6FNO
Molecular Weight: 151.1377

Identification/Properties

Computed Properties
Molecular Weight:
151.14g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
151.043g/mol
Monoisotopic Mass:
151.043g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
166
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:
Danger
UN#:
3080
Hazard Statements:
H226-H315-H317-H319-H334-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P342+P311
Class:
6.1,3
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Fluorobenzylisocyanate is a versatile compound widely utilized in chemical synthesis for the introduction of the isocyanate functional group into various organic molecules. As a reactive intermediate, 2-Fluorobenzylisocyanate plays a crucial role in the preparation of diverse compounds with valuable applications in pharmaceuticals, agrochemicals, and materials science. When subjected to appropriate reaction conditions, 2-Fluorobenzylisocyanate readily reacts with nucleophilic compounds such as primary and secondary amines, alcohols, and thiols to form ureas, carbamates, and thioureas, respectively. Additionally, this compound can undergo rearrangement reactions to yield biologically active compounds or serve as a building block for more complex structures. The ability of 2-Fluorobenzylisocyanate to participate in various chemical transformations makes it a valuable tool in the synthesis of novel molecules with diverse functionalities and applications.