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HomeProduct name list4-Methylbenzyl cyanide

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
4-Methylbenzyl cyanide Structural

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  n20/D 1.519(lit.)
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)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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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