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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-chloro-4-hydroxy-

N#Cc1ccc(c(c1)Cl)O Request for Quotation
Chemical Name: Benzonitrile, 3-chloro-4-hydroxy-
CAS Number: 2315-81-3
Product Number: AG002ME4(AGN-PC-0KK7B9)
Synonyms:
MDL No:
Molecular Formula: C7H4ClNO
Molecular Weight: 153.5658

Identification/Properties

Properties
MP:
150 °C
BP:
265.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
153.565g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
152.998g/mol
Monoisotopic Mass:
152.998g/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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Chloro-4-hydroxybenzonitrile, also known as $name$, is a versatile compound widely utilized in chemical synthesis. Its unique molecular structure makes it a valuable building block in organic reactions, particularly in the field of pharmaceuticals and agrochemicals.One significant application of 3-Chloro-4-hydroxybenzonitrile is its use as a key intermediate in the synthesis of various pharmaceutical compounds. It serves as a crucial precursor for the production of certain drugs that exhibit important biological activities. The presence of both the chloro and hydroxy functional groups on the benzene ring allows for selective functionalization, enabling the incorporation of specific substituents to tailor the desired pharmacological properties of the final product.Furthermore, 3-Chloro-4-hydroxybenzonitrile plays a pivotal role in the development of agrochemicals. By serving as a foundational molecule in the synthesis of pesticide and herbicide formulations, this compound contributes to enhancing crop protection and improving agricultural productivity. Its structural characteristics facilitate the modification of chemical properties, leading to the creation of effective and environmentally-friendly crop protection solutions.In addition to its pharmaceutical and agrochemical applications, 3-Chloro-4-hydroxybenzonitrile is also employed in other areas of chemical synthesis, such as material science and organic synthesis. Its versatility and reactivity make it a valuable component in the construction of complex organic molecules with diverse functionalities, enabling the creation of novel materials and compounds with specialized properties.Overall, the significance of 3-Chloro-4-hydroxybenzonitrile in chemical synthesis lies in its ability to serve as a crucial building block for the development of valuable products in pharmaceuticals, agrochemicals, and other chemical applications. Its role as an intermediate compound underscores its importance in advancing scientific research and innovation in various industries.