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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:
908644
EC Number:
204-508-5
MDL number:
MFCD00007251
UNSPSC Code:
12352100
eCl@ss:
39032047
PubChem Substance ID:
24850684
NACRES:
NA.22

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

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

373.3 °F - Pensky-Martens closed cup

Flash Point(C)

189.6 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM5557
BCCK4580
BCCJ8019
BCCH1833
BCCJ0780

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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)
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
Zhiqiang Hu et al.
Water research, 39(15), 3501-3510 (2005-07-30)
Biodegradation rates of benzoate and related aromatic compounds, 3-nitrobenzoate, 4-chlorobenzoate, 4-chlorophenol, and 2,4-dichlorophenol by unexposed (unacclimated) and long-term exposed (acclimated) biomass were quantified using a modified fed-batch technique. The acclimated biomass was taken after approximately 1-year of operation from three
C R Bloom et al.
Biochemistry, 37(31), 10937-10944 (1998-08-07)
The positive and negative cooperativity and apparent half-site reactivity of the Co(II)-substituted insulin hexamer are well-described by a three-state allosteric model involving ligand-mediated interconversions between the three states: T3T3' right harpoon over left harpoon T3o R3o right harpoon over left
M Algarra et al.
Talanta, 83(5), 1335-1340 (2011-01-18)
The detection of nitroaromatic compounds, best known as raw materials in explosives preparations, is important in many fields including environmental science, public security and forensics. CdSe quantum dots capped with PAMAM-G(4) dendrimer were synthetized in water and used for the
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