2-METHYL-5-NITROBENZONITRILE
Synonym(s):5-Nitro-o-tolunitrile
- CAS NO.：939-83-3
- Empirical Formula: C8H6N2O2
- Molecular Weight: 162.15
- MDL number: MFCD00017040
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-25 17:47:29
What is 2-METHYL-5-NITROBENZONITRILE?
Chemical properties
Light yellow crystalline
The Uses of 2-METHYL-5-NITROBENZONITRILE
2-Methyl-5-nitrobenzonitrile was used in the preparation of 5-(2-methyl-5-nitrophenyl)-1H-tetrazole.
What are the applications of Application
2-Methyl-5-nitrobenzonitrile is an aralkyl nitrile
Synthesis Reference(s)
Tetrahedron Letters, 25, p. 4971, 1984 DOI: 10.1016/S0040-4039(01)91273-0
General Description
2-Methyl-5-nitrobenzonitrile is an aralkyl nitrile. It is formed by nitration of o-toluonitrile with NO2+BF4-. Crystal structure of 2-methyl-5-nitrobenzonitrile is stabilized by van der Waals interactions.
Properties of 2-METHYL-5-NITROBENZONITRILE
| Melting point: | 103.5-107.5 °C (lit.) |
| Boiling point: | 175°C/10mmHg(lit.) |
| Density | 1.3264 (rough estimate) |
| refractive index | 1.5770 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | ethanol: soluble(lit.) |
| form | powder to crystal |
| color | White to Light yellow |
| BRN | 1947376 |
| CAS DataBase Reference | 939-83-3(CAS DataBase Reference) |
Safety information for 2-METHYL-5-NITROBENZONITRILE
| 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-METHYL-5-NITROBENZONITRILE
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