3,5-Dinitro-4-methylbenzoic acid
Synonym(s):3,5-Dinitro-p-toluic acid;3,5-Dinitro-4-methylbenzoic acid
- CAS NO.：16533-71-4
- Empirical Formula: C8H6N2O6
- Molecular Weight: 226.14
- MDL number: MFCD00007175
- EINECS: 240-603-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-25 17:47:29
What is 3,5-Dinitro-4-methylbenzoic acid?
Chemical properties
yellow crystalline powder
The Uses of 3,5-Dinitro-4-methylbenzoic acid
4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.
Properties of 3,5-Dinitro-4-methylbenzoic acid
| Melting point: | 155-158 °C(lit.) |
| Boiling point: | 396.3±42.0 °C(Predicted) |
| Density | 1.593±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: soluble250mg/10 mL, clear, faintly yellow to yellow |
| form | Crystalline Powder |
| pka | 2.95±0.10(Predicted) |
| color | Yellow |
| BRN | 2507949 |
| CAS DataBase Reference | 16533-71-4(CAS DataBase Reference) |
Safety information for 3,5-Dinitro-4-methylbenzoic 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 3,5-Dinitro-4-methylbenzoic acid
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product: 4-Methyl-3, 5-Dinitro benzoic acid 98%
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