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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-Chloro-5-formylbenzonitrile

O=Cc1cc(C#N)cc(c1)Cl Request for Quotation
Chemical Name: 3-Chloro-5-formylbenzonitrile
CAS Number: 1205513-88-7
Product Number: AG0039S1(AGN-PC-0WD4BW)
Synonyms:
MDL No: MFCD18392412
Molecular Formula: C8H4ClNO
Molecular Weight: 165.5765

Identification/Properties

Computed Properties
Molecular Weight:
165.576g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
164.998g/mol
Monoisotopic Mass:
164.998g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
196
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
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Chloro-5-formylbenzonitrile serves as a versatile building block in chemical synthesis due to its unique structural properties. As a key intermediate, it plays a crucial role in the development of various pharmaceuticals, agrochemicals, and specialty chemicals. One of its notable applications is in the synthesis of novel heterocyclic compounds and complex organic molecules, where its functional groups enable the introduction of specific substituents to tailor the desired properties of the final product. Additionally, 3-Chloro-5-formylbenzonitrile is utilized in the preparation of dyes, pigments, and materials for advanced materials science research, showcasing its significance in the realm of modern organic synthesis.