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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)-

2-cyano-3-nitrobenzoic acid

N#Cc1c(cccc1[N+](=O)[O-])C(=O)O Request for Quotation
Chemical Name: 2-cyano-3-nitrobenzoic acid
CAS Number: 1260834-31-8
Product Number: AG009YSY(AGN-PC-09RXVN)
Synonyms:
MDL No:
Molecular Formula: C8H4N2O4
Molecular Weight: 192.1284

Identification/Properties

Computed Properties
Molecular Weight:
192.13g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
192.017g/mol
Monoisotopic Mass:
192.017g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
300
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-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Cyano-3-nitrobenzoic acid, also known as CNB acid, is a versatile compound that finds application in various chemical synthesis processes. Particularly, it is commonly utilized as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structural properties make it a valuable building block for creating complex organic molecules with specific functionalities. In chemical synthesis, 2-Cyano-3-nitrobenzoic acid serves as a crucial starting material for the production of various compounds, including heterocycles, peptides, and fluorescent dyes. Its reactivity and compatibility with a wide range of reaction conditions make it a popular choice for researchers and chemists seeking to develop innovative molecules with diverse applications across different industries.