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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)-

4H-1-Benzopyran-3-carbonitrile, 4-oxo-

N#Cc1coc2c(c1=O)cccc2 Request for Quotation
Chemical Name: 4H-1-Benzopyran-3-carbonitrile, 4-oxo-
CAS Number: 50743-17-4
Product Number: AG003JCA(AGN-PC-0JS9YG)
Synonyms:
MDL No:
Molecular Formula: C10H5NO2
Molecular Weight: 171.1522

Identification/Properties

Properties
MP:
174-176℃ (lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
171.155g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
171.032g/mol
Monoisotopic Mass:
171.032g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
310
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:
Danger
UN#:
3439
Hazard Statements:
H301-H312+H332
Precautionary Statements:
P280-P301+P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Oxo-4H-chromene-3-carbonitrile is a versatile compound widely used in organic chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties and reactivity. In chemical synthesis, 4-Oxo-4H-chromene-3-carbonitrile acts as a crucial intermediate in the preparation of diverse heterocyclic compounds, which play a vital role in drug discovery and development. Its ability to undergo various functional group transformations makes it a valuable tool for creating complex molecular structures with specific properties. Additionally, this compound is often employed in the development of new synthetic methodologies and strategies to access novel compounds with potential applications in medicine, agriculture, and materials science.