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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)-

3-Amino-5-hydroxybenzonitrile

N#Cc1cc(N)cc(c1)O Request for Quotation
Chemical Name: 3-Amino-5-hydroxybenzonitrile
CAS Number: 1243444-99-6
Product Number: AG000LWI(AGN-PC-0WA81W)
Synonyms:
MDL No:
Molecular Formula: C7H6N2O
Molecular Weight: 134.1353

Identification/Properties

Properties
BP:
367.3±27.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
134.138g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
134.048g/mol
Monoisotopic Mass:
134.048g/mol
Topological Polar Surface Area:
70A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
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:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Amino-5-hydroxybenzonitrile, also known as (3-Hydroxy-4-cyanoaniline), is a versatile compound widely used in chemical synthesis. This compound is commonly employed as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals due to its unique chemical properties. In particular, 3-Amino-5-hydroxybenzonitrile serves as a crucial building block in the synthesis of compounds used in the pharmaceutical industry, such as anti-inflammatory drugs, antioxidants, and antimicrobial agents. Its ability to undergo selective functionalization reactions makes it valuable for introducing specific chemical functionalities into target molecules, thereby enabling the creation of novel compounds with enhanced biological activities. Additionally, the presence of both the amino and hydroxy groups in this compound allows for the formation of hydrogen bonds, which can contribute to the overall stability and pharmacological properties of the final products. Furthermore, 3-Amino-5-hydroxybenzonitrile can participate in various multicomponent reactions and cascade processes, making it a valuable tool for streamlining synthetic pathways and increasing the efficiency of chemical transformations in organic synthesis.