3-Nitrobenzoic acid
- CAS No.
- 121-92-6
- Chemical Name:
- 3-Nitrobenzoic acid
- Synonyms
- M-NITROBENZOIC ACID;3-nitrobenzoic;NITROBENZOIC(3-) ACID;Metanitrobenzoic acid;3-NITROPHENYL METHANOIC ACID;N-204;Nitrobenzene acid;Arylex Impurity 6;3-nitro-benzoicaci;m-nitro-benzoicaci
- CBNumber:
- CB1709821
- Molecular Formula:
- C7H5NO4
- Molecular Weight:
- 167.12
- MOL File:
- 121-92-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/9/25 8:29:45
| Melting point | 139-141 °C(lit.) |
|---|---|
| Boiling point | 295.67°C (rough estimate) |
| Density | 1,494 g/cm3 |
| vapor density | 5.76 (vs air) |
| vapor pressure | 0.005Pa at 25℃ |
| refractive index | 1.6280 (estimate) |
| Flash point | 190 °C |
| storage temp. | no restrictions. |
| solubility | water: soluble3g/L at 25°C |
| form | Crystals or Powder |
| pka | 3.47(at 25℃) |
| color | Slightly green to light yellow |
| PH Range | 3 |
| PH | 3 (5g/l, H2O, 20℃)(aqueous suspension) |
| Water Solubility | <0.01 g/100 mL at 18 ºC |
| Merck | 14,6588 |
| BRN | 908644 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| LogP | 1.1 at 25℃ |
| CAS DataBase Reference | 121-92-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3-nitro-(121-92-6) |
| EPA Substance Registry System | m-Nitrobenzoic acid (121-92-6) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H319 | |||||||||
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-36/37-33-36/37/38 | |||||||||
| Safety Statements | 26-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH5000000 | |||||||||
| Autoignition Temperature | 490 °C | |||||||||
| Hazard Note | Irritant | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29163900 | |||||||||
| NFPA 704 |
|
3-Nitrobenzoic acid price More Price(19)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 8.00645 | 3-Nitrobenzoic acid for synthesis | 121-92-6 | 250G | ₹3360 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 185329 | 3-Nitrobenzoic acid ReagentPlus?, 99% | 121-92-6 | 500G | ₹2165 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 8.00645 | 3-Nitrobenzoic acid for synthesis | 121-92-6 | 25KG | ₹62990 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 185329 | 3-Nitrobenzoic acid ReagentPlus?, 99% | 121-92-6 | 5G | ₹2630.48 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 185329 | 3-Nitrobenzoic acid ReagentPlus?, 99% | 121-92-6 | 100G | ₹3204.2 | 2022-06-14 | Buy |
3-Nitrobenzoic acid Chemical Properties,Uses,Production
Chemical Properties
White or light yellow monoclinic leaf-like crystal. Soluble in acetone, chloroform, ethanol and ether, slightly soluble in benzene, water, carbon disulfide and petroleum ether, more soluble in hot water. It smells like almonds. 3-nitrobenzoic acid is quite a strong acid, it is soluble in a relatively weak base. It is about ten times more acidic than benzoic acid.The conjugate base of benzoic acid is stabilised by the presence of the electron withdrawing nitro group which explains its increased acidity in comparison to unsubstituted benzoic acid.
Uses
3-Nitrobenzoic acid was used to investigated the role of ozone as additional decomposition or finishing reagent in the degradation of o-, m- and p-nitobenzoic acids
Preparation
3-Nitrobenzoic acid is prepared by nitrating benzoic acid at low temperature. Approximately 20% of the 2-nitro isomer and 1.5% of the 4-nitro isomer are co-produced. The 3-nitrobenzoic acid can be purified by recrystallization of the sodium salt. The oxidation of 3-nitrobenzaldehyde, prepared by the controlled oxidation of benzaldehyde, gives a higher yield.
General Description
Off white to yellowish-white crystals. Bitter taste. Melts in hot water.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
3-Nitrobenzoic acid is incompatible with strong oxidizers. 3-Nitrobenzoic acid is also incompatible with strong bases. 3-Nitrobenzoic acid may react with cyanides.
Fire Hazard
Flash point data for 3-Nitrobenzoic acid are not available but 3-Nitrobenzoic acid is probably combustible.
Purification Methods
Crystallise the acid from *benzene, H2O, EtOH (charcoal), glacial acetic acid or MeOH/H2O. Dry and store it in a vacuum desiccator. The amide has m 143o (from H2O or *C6H6). [Beilstein 9 III 1489, 9 IV 1055.]
3-Nitrobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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