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3-ACETYLBENZONITRILE Structure

3-ACETYLBENZONITRILE

Chemical Properties

Melting point 98-100 °C (lit.)
Boiling point 120 °C (5 mmHg)
Density  1.1555 (rough estimate)
refractive index  1.4500 (estimate)
Flash point 120°C/5mm
storage temp.  Sealed in dry,Room Temperature
solubility  4g/l
form  Powder
color  Pale yellow-orange to brown
Water Solubility  Insoluble in water.
BRN  2079629
InChI InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey SBCFGFDAZCTSRH-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC(C(C)=O)=C1
CAS DataBase Reference 6136-68-1(CAS DataBase Reference)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  26-37/39
RIDADR  3439
WGK Germany  3
Hazard Note  Harmful/Irritant
TSCA  T
HazardClass  6.1
PackingGroup  III
HS Code  29269090

MSDS

Usage And Synthesis

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