25410
2-Chloro-4-nitrobenzoic acid
technical, ≥90% (HPLC)
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About This Item
Linear Formula:
ClC6H3(NO2)CO2H
CAS Number:
Molecular Weight:
201.56
EC Number:
202-771-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1912836
MDL number:
grade
technical
assay
≥90% (HPLC)
mp
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
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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
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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