2-Nitrobenzoic acid
- CAS NO.:552-16-9
- Empirical Formula: C7H5NO4
- Molecular Weight: 167.12
- MDL number: MFCD00007137
- EINECS: 209-004-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-04 20:04:50
What is 2-Nitrobenzoic acid?
Chemical properties
off-white powder
The Uses of 2-Nitrobenzoic acid
2-Nitrobenzoic Acid is used as a reagent in the synthesis of several organic compounds including that of novel triazoles and a tetrazole of escitalopram which act as cholinesterase inhibitors. It is also used in the one pot synthesis of 1,4-disubstituted 1,2,3-triazoles.
The Uses of 2-Nitrobenzoic acid
NH2-protecting reagent.
Definition
ChEBI: A nitrobenzoic acid carrying the nitro substituent at position 2.
Synthesis Reference(s)
The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040
Tetrahedron Letters, 35, p. 219, 1994 DOI: 10.1016/S0040-4039(00)76515-4
General Description
Yellowish white crystals with an intensely sweet taste.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides .
Health Hazard
ACUTE/CHRONIC HAZARDS: When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes.
Fire Hazard
Flash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible.
Purification Methods
Crystallise the acid from *benzene (twice), n-butyl ether (twice), then water (twice). Dry and store it in a vacuum desiccator. [Le Noble & Wheland J Am Chem Soc 80 5397 1958.] It has also been crystallised from EtOH/H2O. The amide has m 176.5o (from H2O). [Beilstein 9 III 1466, 9 IV 1046.]
Properties of 2-Nitrobenzoic acid
Melting point: | 146-148 °C(lit.) |
Boiling point: | 295.67°C (rough estimate) |
Density | 1,58 g/cm3 |
refractive index | 1.6280 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
solubility | 7.8g/l |
pka | 2.16(at 18℃) |
form | Fine Powder |
Specific Gravity | 1.58 |
color | Off-white |
Water Solubility | 6.8 g/L |
Merck | 14,6588 |
BRN | 1910632 |
Stability: | Stable. Incompatible with strong oxidizing agents, strong bases. |
CAS DataBase Reference | 552-16-9(CAS DataBase Reference) |
NIST Chemistry Reference | Benzoic acid, 2-nitro-(552-16-9) |
EPA Substance Registry System | o-Nitrobenzoic acid (552-16-9) |
Safety information for 2-Nitrobenzoic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Nitrobenzoic acid
Abamectin manufacturer
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