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185329

Sigma-Aldrich

3-Nitrobenzoic acid

ReagentPlus®, 99%

Synonym(s):

m-Carboxynitrobenzene, m-Nitrobenzenecarboxylic acid, m-Nitrobenzoic acid

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About This Item

Linear Formula:
O2NC6H4CO2H
CAS Number:
121-92-6
Molecular Weight:
167.12
Beilstein/REAXYS Number:
908644
EC Number:
204-508-5
MDL number:
MFCD00007251
UNSPSC Code:
12352100
eCl@ss:
39032047
PubChem Substance ID:
24850684
NACRES:
NA.22

Quality Level

200

product line

ReagentPlus®

assay

99%

form

solid

mp

139-141 °C (lit.)

solubility

water: soluble 3 g/L at 25 °C

functional group

carboxylic acid
nitro

SMILES string

OC(=O)c1cccc(c1)[N+]([O-])=O

InChI

1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)

InChI key

AFPHTEQTJZKQAQ-UHFFFAOYSA-N

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General description

3-Nitrobenzoic acid forms molecular adducts with commercially important herbicides and pesticides such as amitrole.

Application

3-Nitrobenzoic acid was used to investgate the role of ozone as additional decomposition or finishing reagent in the degradation of o-, m- and p-nitobenzoic acids.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

373.3 °F - Pensky-Martens closed cup

flash_point_c

189.6 °C - Pensky-Martens closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH1833
BCBN9380V
BCBN9379V
BCBC5167
BCBJ7904V

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W Jiang et al.
The Analyst, 122(3), 211-215 (1997-03-01)
In an attempt to produce complete oxidation of a biological matrix, bovine liver, ozone was investigated as an additional, potentially non-contaminating, oxidizing reagent after nitric acid digestion. Experiments were carried out to determine the decomposition efficiency of residual carbon species
Molecular co-crystals of carboxylic acids. 16. 1: 1 Adduct of 3-nitrobenzoic acid with 3-amino-1H-1, 2, 4-triazole.
Lynch DE, et al.
Acta Crystallographica Section C, Crystal Structure Communications, 50(8), 1291-1294 (1994)
Miguel A Providenti et al.
Applied and environmental microbiology, 72(4), 2651-2660 (2006-04-07)
In Comamonas sp. strain JS46, 3-nitrobenzoate (3Nba) is initially oxidized at the 3,4 position by a dioxygenase, which results in release of nitrite and production of protocatechuate. The locus coding for the 3Nba dioxygenase (designated mnb, for m-nitrobenzoate) was mobilized
M Samsonowicz et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 82(1), 235-246 (2011-08-25)
The influence of beryllium, magnesium, calcium, strontium and barium cations on the electronic system of 3-nitrobenzoic acid was studied in comparison with studied earlier alkali metal ions. The vibrational FT-IR (in KBr and ATR techniques) and (1)H and (13)C NMR
Zhiqiang Hu et al.
Water research, 39(4), 710-720 (2005-02-15)
The physical and biochemical characteristics of the biomass in three lab-scale sequencing batch reactors (SBR) treating a synthetic wastewater at a 20-day target solids retention time (SRT) were investigated. The synthetic wastewater feed contained biogenic compounds and 22 organic priming
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