CDC Structure

CDC

Chemical Properties

Boiling point 583.9±50.0 °C(Predicted)
Density  1.326±0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO: ≥15mg/mL
form  powder
pka 8.75±0.10(Predicted)
color  light yellow to yellow
InChI 1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
InChIKey XGHYFEJMJXGPGN-UYHGDYIZSA-N
SMILES Oc1ccc(cc1O)\C=C(/C#N)C(=O)OC\C=C\c2ccccc2
NCI Dictionary of Cancer Terms CDC
UNSPSC Code 12352204
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H317-H410
Precautionary statements P261-P272-P273-P280-P302+P352-P333+P313
Hazard Codes  Xi,N
Risk Statements  43-50/53
Safety Statements  36/37-60-61
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
HazardClass  9
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1

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