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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)-

1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenyl-

O=Cc1c(C)nn(c1Cl)c1ccccc1 Request for Quotation
Chemical Name: 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenyl-
CAS Number: 947-95-5
Product Number: AG003490(AGN-PC-0JTSQI)
Synonyms:
MDL No:
Molecular Formula: C11H9ClN2O
Molecular Weight: 220.6550

Identification/Properties

Properties
MP:
145-148 °C(lit.);
BP:
356.1 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
220.656g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
220.04g/mol
Monoisotopic Mass:
220.04g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
231
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde is a versatile compound commonly used in chemical synthesis due to its unique chemical properties. This compound serves as a key building block in the production of various pharmaceuticals and agrochemicals. Its aldehyde functional group allows for efficient reactions with nucleophiles and other reagents, making it an essential intermediate in the synthesis of complex organic molecules. Additionally, the presence of the phenyl and chloro substituents provides the molecule with distinct reactivity patterns, allowing for selective modifications and functional group transformations. In synthetic chemistry, 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde plays a crucial role in the development of novel compounds with diverse applications.