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: 2024-12-19 15:48:47
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 |
4-Methylbenzyl cyanide manufacturer
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