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2-Chloro-4-nitrobenzoic acid

Name: 2-Chloro-4-nitrobenzoic acid
Brand: SIAL

technical, ≥90% (HPLC)

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About This Item

Fórmula linear:

ClC₆H₃(NO₂)CO₂H

Número CAS:

99-60-5

Peso molecular:

201.56

Beilstein:

1912836

Número CE:

202-771-0

Número MDL:

MFCD00007209

Código UNSPSC:

12352100

ID de substância PubChem:

24855355

grau

technical

Ensaio

≥90% (HPLC)

pf

136-140 °C (lit.)
136-140 °C

solubilidade

methanol: soluble 0.5 g/10 mL, very faintly turbid, faintly yellow-green

cadeia de caracteres SMILES

OC(=O)c1ccc(cc1Cl)[N+]([O-])=O

InChI

1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)

chave InChI

QAYNSPOKTRVZRC-UHFFFAOYSA-N

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Descrição geral

2-Chloro-4-nitrobenzoic acid is an active pharmaceutical ingredient. Cocrystal of 2-chloro-4-nitrobenzoic acid has been prepared by Kofler hot stage contact method. Degradation of 2-chloro-4-nitrobenzoic acid by Acinetobacter sp. RKJ12 via oxygenolytic dehalogenation has been reported.

Pictogramas

GHS05,GHS07

Palavra indicadora

Danger

Frases de perigo

H315,H318,H335

Declarações de precaução

P261 - P280 - P305 + P351 + P338

Classificações de perigo

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Órgãos-alvo

Respiratory system

Código de classe de armazenamento

13 - Non 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

Choose from one of the most recent versions:

Certificados de análise (COA)

Lot/Batch Number

349313/1

341040/1

314202/1

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Synthesis, characterization, and molecular modeling of a pharmaceutical co-crystal: (2-chloro-4-nitrobenzoic acid):(nicotinamide).

Andreas Lemmerer et al.

Journal of pharmaceutical sciences, 99(9), 4054-4071 (2010-06-25)

The active pharmaceutical ingredient 2-chloro-4-nitrobenzoic acid (2c4n) is a potentially novel therapy for immunodeficiency diseases as an anti-viral and anti-cancer agent, and exists as a dimorph in the solid state. The Kofler hot stage contact method was employed to investigate

Novel pathway for the degradation of 2-chloro-4-nitrobenzoic acid by Acinetobacter sp. strain RKJ12.

Dhan Prakash et al.

Applied and environmental microbiology, 77(18), 6606-6613 (2011-08-02)

The organism Acinetobacter sp. RKJ12 is capable of utilizing 2-chloro-4-nitrobenzoic acid (2C4NBA) as a sole source of carbon, nitrogen, and energy. In the degradation of 2C4NBA by strain RKJ12, various metabolites were isolated and identified by a combination of chromatographic

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