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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, 3-bromo-4-hydroxy-

N#Cc1ccc(c(c1)Br)O Request for Quotation
Chemical Name: Benzonitrile, 3-bromo-4-hydroxy-
CAS Number: 2315-86-8
Product Number: AG002ME2(AGN-PC-0JLPAQ)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO
Molecular Weight: 198.0168

Identification/Properties

Properties
MP:
155-159 °C(lit.)
BP:
271.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
198.019g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
196.948g/mol
Monoisotopic Mass:
196.948g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Bromo-4-hydroxybenzonitrile, also known as $name$, is a versatile compound that finds extensive application in chemical synthesis. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials due to its unique reactivity and structural properties. In chemical synthesis, $name$ acts as a key intermediate in the production of diverse organic compounds. It is commonly employed in the preparation of complex molecules through various synthetic routes such as nucleophilic substitution, palladium-catalyzed coupling reactions, and aromatic substitution reactions. Its hydroxy and nitrile functional groups facilitate selective derivatization and enable the introduction of specific functionalities into the target molecules.Moreover, the presence of the bromo substituent enhances the versatility of $name$ by allowing for further functionalization through cross-coupling reactions, which are vital in the synthesis of advanced materials and pharmaceutical compounds. This compound's ability to undergo diverse transformations makes it a valuable tool for chemists and researchers seeking to design and develop novel molecules with tailored properties and functionalities.