8.00645
3-Nitrobenzoic acid
for synthesis
Synonym(s):
3-Nitrobenzoic acid
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About This Item
Linear Formula:
3-(NO2)C6H4COOH
CAS Number:
Molecular Weight:
167.12
UNSPSC Code:
12352106
EC Index Number:
204-508-5
NACRES:
NA.22
MDL number:
Assay:
≥99% (HPLC)
Form:
crystals
Quality Level
assay
≥99% (HPLC)
form
crystals
autoignition temp.
490 °C
pH
3 (20 °C, 5 g/L in H2O, aqueous suspension)
mp
139-142 °C
transition temp
flash point 190 °C
solubility
3 g/L
density
1.49 g/cm3 at 20 °C
bulk density
700 kg/m3
storage temp.
no temp limit
SMILES string
[N+](=O)([O-])c1cc(ccc1)C(=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
Application
- CO–CRYSTAL SYNTHESIS AND STRUCTURAL ANALYSIS OF PARACETAMOL AND 3–NITROBENZOIC ACID: This study focuses on the co-crystallization of paracetamol with 3-nitrobenzoic acid, providing insights into the structural dynamics of the resulting compound (PP Chahande, 2023).
- Photocatalytic degradation of methylene blue dye and electrocatalytic water oxidation over copper (II) complex with mixed ligands: This study explores the use of a copper (II) complex with 3-nitrobenzoic acid in photocatalytic degradation and electrocatalytic water oxidation (M Jamil et al., 2024).
Analysis Note
Assay (HPLC, area%): ≥ 99 %
Melting range
- lower value:
≥ 139 °C
- upper value: ≤ 143 °C
Identity (IR): passes test
Melting range
- lower value:
≥ 139 °C
- upper value: ≤ 143 °C
Identity (IR): passes test
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
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
Certificates of Analysis (COA)
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 8006450250 | 04022536361277 |
| 8006459025 | 04022536883816 |