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Sigma-Aldrich

2-Chloro-4-nitrobenzoic acid

technical, ≥90% (HPLC)

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About This Item

Linear Formula:
ClC6H3(NO2)CO2H
CAS Number:
99-60-5
Molecular Weight:
201.56
Beilstein/REAXYS Number:
1912836
EC Number:
202-771-0
MDL number:
MFCD00007209
UNSPSC Code:
12352100
PubChem Substance ID:
24855355

grade

technical

assay

≥90% (HPLC)

mp

136-140 °C (lit.)
136-140 °C

solubility

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

SMILES string

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)

InChI key

QAYNSPOKTRVZRC-UHFFFAOYSA-N

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General description

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.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
349313/1
341040/1
314202/1

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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
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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