4-Hydroxy-3,5-dimethylbenzonitrile


Chemical Name: 4-Hydroxy-3,5-dimethylbenzonitrile
CAS Number: 4198-90-7
Product Number: AG003IOK(AGN-PC-0WAAGZ)
Synonyms:
MDL No:
Molecular Formula: C9H9NO
Molecular Weight: 147.1739

Identification/Properties


Properties
MP:
123-127 °C
BP:
310.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
147.177g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
147.068g/mol
Monoisotopic Mass:
147.068g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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+H312+H332-H315-H319
Precautionary Statements:
P261-P264-P280-P337+P313-P302+P352+P312-P304+P340+P312
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Hydroxy-3,5-dimethylbenzonitrile is a valuable chemical intermediate widely used in chemical synthesis processes. Its application in the field of chemistry is particularly significant due to its versatile properties and reactivity.In organic synthesis, 4-Hydroxy-3,5-dimethylbenzonitrile serves as a key building block for the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its hydroxyl and cyano groups make it a versatile precursor for the synthesis of more complex molecules through functional group transformations.This compound can undergo various reactions such as nucleophilic substitutions, condensations, and metal-catalyzed transformations to introduce different functional groups at specific positions on the aromatic ring. The presence of both the hydroxyl and cyano groups allows for selective modifications of the molecule to tailor its physicochemical properties for specific applications.Overall, the use of 4-Hydroxy-3,5-dimethylbenzonitrile in chemical synthesis enables chemists to access a wide range of structurally diverse compounds with potential applications in pharmaceuticals, materials science, and other industries. Its versatility and reactivity make it a valuable tool for designing and synthesizing novel molecules with tailored properties.