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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, 2-amino-3-chloro-5-nitro-

N#Cc1cc(cc(c1N)Cl)[N+](=O)[O-] Request for Quotation
Chemical Name: Benzonitrile, 2-amino-3-chloro-5-nitro-
CAS Number: 20352-84-5
Product Number: AG0028Z4(AGN-PC-0JLXH1)
Synonyms:
MDL No: MFCD00126957
Molecular Formula: C7H4ClN3O2
Molecular Weight: 197.5786

Identification/Properties

Properties
MP:
183-187 °C(lit.)
BP:
353.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5557 (estimate)
Computed Properties
Molecular Weight:
197.578g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
196.999g/mol
Monoisotopic Mass:
196.999g/mol
Topological Polar Surface Area:
95.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
256
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Amino-3-chloro-5-nitrobenzonitrile is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the formation of various complex organic molecules due to its distinctive structure and functional groups. In organic chemistry, it is commonly employed as a precursor in the synthesis of pharmaceuticals, agrochemicals, and dyes.One prominent application of 2-Amino-3-chloro-5-nitrobenzonitrile is its involvement in the production of heterocyclic compounds. By reacting this compound with suitable reagents, chemists can access a diverse array of heterocycles such as pyrazoles, pyrimidines, and triazoles. These heterocyclic structures are prevalent in many biologically active substances and are essential components in drug discovery and development.Furthermore, 2-Amino-3-chloro-5-nitrobenzonitrile can participate in various organic transformations like nucleophilic substitution and cyclization reactions, offering a wide range of synthetic possibilities. Its versatility in chemical synthesis makes it a valuable intermediate for creating intricate molecular scaffolds with potential applications in medicinal chemistry and materials science.