4'-(Imidazol-1-yl)acetophenone Structure

4'-(Imidazol-1-yl)acetophenone

Chemical Properties

Melting point 108-110 °C(lit.)
Boiling point 320.7°C (rough estimate)
Density  1.1458 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 4.99±0.10(Predicted)
color  Light Yellow to Beige
BRN  608955
InChI 1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3
InChIKey GAIQQJIMVVUTQN-UHFFFAOYSA-N
SMILES CC(=O)c1ccc(cc1)-n2ccnc2
CAS DataBase Reference 10041-06-2(CAS DataBase Reference)
FDA UNII KQU6ES7DSS
UNSPSC Code 12352005
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-22
Safety Statements  26-36-36/37/39-22
WGK Germany  3
Hazard Note  Irritant
HS Code  29332990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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