3-Methylbenzyl cyanide
Synonym(s):3-Methylphenylacetonitrile
- CAS NO.：2947-60-6
- Empirical Formula: C9H9N
- Molecular Weight: 131.17
- MDL number: MFCD00001914
- EINECS: 220-962-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:25:38
What is 3-Methylbenzyl cyanide?
Chemical properties
clear colorless to light yellow liquid
The Uses of 3-Methylbenzyl cyanide
(3-Methylphenyl)acetonitrile was used as a reactant to synthesize potential non-nucleoside reverse transcriptase inhibitors (NNRTIs) against HIV. It was also used as a reactant to prepare hepatitis C virus inhibitors.
Properties of 3-Methylbenzyl cyanide
| Boiling point: | 240-241 °C(lit.) |
| Density | 1.002 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| Specific Gravity | 1.002 |
| color | Colorless to Light orange to Yellow |
| Water Solubility | INSOLUBLE |
| BRN | 1099644 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3 |
| CAS DataBase Reference | 2947-60-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Tolylacetic acid nitrile(2947-60-6) |
Safety information for 3-Methylbenzyl cyanide
| 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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-Methylbenzyl cyanide
| InChIKey | WOJADIOTNFDWNQ-UHFFFAOYSA-N |
| SMILES | C1(CC#N)=CC=CC(C)=C1 |
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