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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)-

4-bromo-1H-indole-2-carbonitrile

N#Cc1cc2c([nH]1)cccc2Br Request for Quotation
Chemical Name: 4-bromo-1H-indole-2-carbonitrile
CAS Number: 955978-74-2
Product Number: AG005ZPK(AGN-PC-0CSOZA)
Synonyms:
MDL No:
Molecular Formula: C9H5BrN2
Molecular Weight: 221.0534

Identification/Properties

Properties
BP:
405.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
221.057g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
219.964g/mol
Monoisotopic Mass:
219.964g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
220
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromo-1H-indole-2-carbonitrile is a key intermediate in chemical synthesis processes, particularly in the pharmaceutical and agrochemical industries. This compound serves as a valuable building block for the construction of complex molecules due to its unique structural properties. With the presence of a bromine substituent and a nitrile functional group on the indole ring, 4-Bromo-1H-indole-2-carbonitrile can participate in various types of chemical reactions, allowing for the introduction of diverse chemical functionalities.One of the important applications of 4-Bromo-1H-indole-2-carbonitrile is in the synthesis of biologically active compounds. By utilizing this intermediate, chemists can efficiently access a wide range of indole derivatives that exhibit potential therapeutic properties. These derivatives can be further modified to enhance their pharmacological activities or optimize their drug-like properties. Additionally, the versatility of 4-Bromo-1H-indole-2-carbonitrile allows for the formation of structurally diverse molecules with targeted biological functions.Furthermore, 4-Bromo-1H-indole-2-carbonitrile plays a crucial role in the preparation of specialty chemicals and advanced materials. Its use in chemical synthesis enables the production of unique compounds for various industrial applications, including materials science and organic electronics. The presence of the carbonitrile group provides synthetic routes for functionalization and diversification, leading to the creation of novel molecules with tailored properties.Overall, the versatility and reactivity of 4-Bromo-1H-indole-2-carbonitrile make it a valuable asset in organic synthesis, enabling the creation of complex molecules with specific functionalities for pharmaceuticals, agrochemicals, and other industries.