348899

Sigma-Aldrich

2,6-Dichloro-3-nitrobenzoic acid

96%

Linear Formula:
Cl2C6H2(NO2)CO2H
CAS Number:
Molecular Weight:
236.01
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

96%

mp

152-158 °C (lit.)

SMILES string

OC(=O)c1c(Cl)ccc(c1Cl)[N+]([O-])=O

InChI

1S/C7H3Cl2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)

InChI key

PCIHIUCCINHORT-UHFFFAOYSA-N

Related Categories

General description

FT-IR and Raman spectra of 2, 6-dichloro-3-nitrobenzoic acid (DCNBA) have been investigated.

Application

2,6-Dichloro-3-nitrobenzoic acid may be used in the preparation of 9-chloro-2-methoxy-6-nitro-5,10-dihydrobenzo[b][1,5]naphthyridin-10-one, required for the synthesis of potential DNA-binding antitumor agents. It may be used in the preparation of 2-(aminoalkyl)-5-nitropyrazolo [3,4,5-kl] acridines.

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

D B Capps et al.
Journal of medicinal chemistry, 35(26), 4770-4778 (1992-12-25)
2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines were prepared from substituted anilines via the 1-chloro-4-nitroacridones followed by condensation with [(alkylamino)alkyl]hydrazines. Impressive activity was demonstrated for the 9-hydroxy, 9-alkoxy, and 9-acyloxy analogs in vitro on a L1210 leukemia line and in vivo against the P388 leukemia. Advanced...
Amelia Magnano et al.
Bioorganic & medicinal chemistry, 12(22), 5941-5947 (2004-10-23)
A series of potential DNA-binding antitumor agents, 2-[omega-(alkylamino)alkyl]-9-methoxy-5-nitro-2,6-dihydroindazolo[4,3-bc][1,5]naphthyridines (2a-f), 10-aza derivatives of PZA, has been prepared by condensation of 9-chloro-2-methoxy-6-nitro-5,10-dihydrobenzo[b][1,5]naphthyridin-10-one (6) with the appropriate (omega-aminoalkyl)hydrazine in tetrahydrofuran/methanol. Compound 6 was obtained by heating at 100 degrees C in H(2)SO(4)5, yielded...
V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 110, 130-140 (2013-04-09)
The FT-IR and Raman spectra of 2, 6-dichloro-3-nitrobenzoic acid (DCNBA) have been recorded and analyzed. The equilibrium geometry, various bonding and harmonic vibrational wavenumbers have been calculated with the help of density functional theory (DFT/B3LYP/cc-pvdz/6-311++G(d,p)) method. The optimized geometrical parameters...

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