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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-(difluoromethoxy)-

N#Cc1cccc(c1)OC(F)F Request for Quotation
Chemical Name: Benzonitrile, 3-(difluoromethoxy)-
CAS Number: 97582-88-2
Product Number: AG006BQ2(AGN-PC-0KK87J)
Synonyms:
MDL No:
Molecular Formula: C8H5F2NO
Molecular Weight: 169.1282

Identification/Properties

Properties
BP:
216.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.4870(lit.)
Computed Properties
Molecular Weight:
169.131g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.034g/mol
Monoisotopic Mass:
169.034g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
187
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-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(Difluoromethoxy)benzonitrile is a versatile compound commonly used in chemical synthesis due to its unique properties and reactivity. This aromatic nitrile derivative serves as a valuable building block in the preparation of various pharmaceuticals, agrochemicals, and materials.One of the key applications of 3-(Difluoromethoxy)benzonitrile is its utility as a precursor in the synthesis of pharmaceutical compounds, particularly in the development of new drug candidates. Its difluoromethoxy group imparts distinct pharmacological properties to the final molecules, enhancing their bioavailability and metabolic stability. This compound can be selectively functionalized to introduce diverse chemical functionalities, allowing for the modification of the drug candidates' physicochemical properties for improved efficacy.Furthermore, 3-(Difluoromethoxy)benzonitrile finds use as a valuable intermediate in the synthesis of agrochemicals with enhanced pesticidal or herbicidal activities. By incorporating this compound into the molecular structure of agricultural chemicals, researchers can fine-tune the biological activity and environmental impact of the resulting products. The difluoromethoxy moiety can influence the compound's mode of action, target specificity, and degradation pathways, contributing to the development of more effective and environmentally friendly crop protection solutions.In materials science, 3-(Difluoromethoxy)benzonitrile serves as a key building block for the preparation of functional materials with specialized properties. Its presence in the molecular structure can enable the formation of novel polymers, liquid crystals, or organic semiconductors with tailored electronic, optical, or mechanical characteristics. Through strategic structural modifications and polymerization reactions, researchers can harness the unique properties of this compound to design advanced materials for applications in electronics, optics, or coatings.Overall, the diverse applications of 3-(Difluoromethoxy)benzonitrile in chemical synthesis highlight its significance as a valuable tool for the design and development of novel pharmaceuticals, agrochemicals, and functional materials, showcasing its potential impact across various scientific disciplines.