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3-Methylbenzyl cyanide Structure

3-Methylbenzyl cyanide

Chemical Properties

Boiling point 240-241 °C(lit.)
Density  1.002 g/mL at 25 °C(lit.)
refractive index  n20/D 1.52(lit.)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
form  clear liquid
color  Colorless to Light orange to Yellow
Specific Gravity 1.002
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
InChIKey WOJADIOTNFDWNQ-UHFFFAOYSA-N
SMILES C1(CC#N)=CC=CC(C)=C1
CAS DataBase Reference 2947-60-6(CAS DataBase Reference)
FDA UNII VK65R23ZZK
NIST Chemistry Reference 3-Tolylacetic acid nitrile(2947-60-6)

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302+H312+H332-H315-H319-H335
Precautionary statements P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-37/39-36/37
RIDADR  UN 3276 6.1/PG 3
WGK Germany  3
HazardClass  6.1
PackingGroup  III
HS Code  29269090
NFPA 704:
1
2 0

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