4-Methylbenzyl cyanide
Synonym(s):α-Cyano-p-xylene;p-Tolylacetonitrile;4-Methylbenzyl cyanide;4-Methylphenylacetonitrile
- CAS NO.：2947-61-7
- Empirical Formula: C9H9N
- Molecular Weight: 131.17
- MDL number: MFCD00001922
- EINECS: 220-963-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-11-16 10:30:15
What is 4-Methylbenzyl cyanide?
Chemical properties
Clear colorless to faintly yellow liquid
Synthesis Reference(s)
Synthesis, p. 40, 1987 DOI: 10.1055/s-1987-27834
Properties of 4-Methylbenzyl cyanide
| Melting point: | 18 °C(lit.) |
| Boiling point: | 242-243 °C(lit.) |
| Density | 0.992 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 223 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| form | Liquid |
| color | Clear colorless to faintly yellow |
| Specific Gravity | 0.99 |
| BRN | 1099645 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3 |
| CAS DataBase Reference | 2947-61-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetonitrile, 4-methyl-(2947-61-7) |
Safety information for 4-Methylbenzyl cyanide
| Signal word | Warning |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Methylbenzyl cyanide
| InChIKey | RNHKXHKUKJXLAU-UHFFFAOYSA-N |
| SMILES | C1(CC#N)=CC=C(C)C=C1 |
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