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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, 4-amino-3-bromo-

N#Cc1ccc(c(c1)Br)N Request for Quotation
Chemical Name: Benzonitrile, 4-amino-3-bromo-
CAS Number: 50397-74-5
Product Number: AG003KP8(AGN-PC-0K6AIR)
Synonyms:
MDL No: MFCD01861386
Molecular Formula: C7H5BrN2
Molecular Weight: 197.0320

Identification/Properties

Properties
MP:
106-110 °C(lit.)
BP:
300.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
197.035g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
195.964g/mol
Monoisotopic Mass:
195.964g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Amino-3-bromobenzonitrile, also known as 3-Bromo-4-cyanophenylamine, is a versatile chemical compound widely used in various chemical synthesis applications. This compound serves as a crucial building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. In chemical synthesis, 4-Amino-3-bromobenzonitrile plays a significant role in the creation of heterocyclic compounds and dyes. It serves as a key intermediate for the synthesis of diverse biologically active compounds, such as inhibitors, antimicrobials, and antivirals. The functional groups present in this compound enable it to participate in a range of reactions, including nucleophilic substitution, cycloaddition, and condensation reactions. Furthermore, the presence of the bromo and cyano groups in 4-Amino-3-bromobenzonitrile allows for further derivatization, making it a valuable building block for creating new chemical entities with enhanced properties. Its structural versatility and reactivity make it a valuable tool for synthetic chemists in the development of novel compounds with potential therapeutic or industrial applications.