About This Item
Fórmula linear:
Cl2C6H2(NO2)CO2H
Número CAS:
Peso molecular:
236.01
Número MDL:
Código UNSPSC:
12352100
ID de substância PubChem:
NACRES:
NA.22
Produtos recomendados
Ensaio
96%
pf
152-158 °C (lit.)
cadeia de caracteres SMILES
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)
chave InChI
PCIHIUCCINHORT-UHFFFAOYSA-N
Descrição geral
FT-IR and Raman spectra of 2, 6-dichloro-3-nitrobenzoic acid (DCNBA) have been investigated.[1]
Aplicação
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.[2] It may be used in the preparation of 2-(aminoalkyl)-5-nitropyrazolo [3,4,5-kl] acridines.[3]
Palavra indicadora
Warning
Frases de perigo
Declarações de precaução
Classificações de perigo
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Órgãos-alvo
Respiratory system
Código de classe de armazenamento
11 - Combustible Solids
Classe de risco de água (WGK)
WGK 3
Ponto de fulgor (°F)
Not applicable
Ponto de fulgor (°C)
Not applicable
Equipamento de proteção individual
dust mask type N95 (US), Eyeshields, Gloves
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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
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
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