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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-Bromo-2-Chlorophenylisocyanate

Clc1ccc(cc1N=C=O)Br Request for Quotation
Chemical Name: 5-Bromo-2-Chlorophenylisocyanate
CAS Number: 923693-67-8
Product Number: AG006JAI(AGN-PC-0WAB48)
Synonyms:
MDL No:
Molecular Formula: C7H3BrClNO
Molecular Weight: 232.4618

Identification/Properties

Computed Properties
Molecular Weight:
232.461g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
230.909g/mol
Monoisotopic Mass:
230.909g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
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


5-Bromo-2-Chlorophenylisocyanate is a versatile chemical compound commonly used in chemical synthesis for the development of various organic compounds. This compound is known for its utility as a reagent in the preparation of pharmaceutical intermediates, agrochemicals, and functional materials. Its unique structure provides it with the ability to participate in a range of reactions, such as nucleophilic substitution, addition, and cyclization reactions. In organic synthesis, 5-Bromo-2-Chlorophenylisocyanate serves as a valuable building block for the creation of complex molecules with diverse applications in drug discovery, material science, and other chemical industries. Its reactivity and functional groups make it an essential tool for the preparation of novel compounds with potential for various industrial and research purposes.