DIPHENYLCYCLOPROPENONE Structure

DIPHENYLCYCLOPROPENONE

Chemical Properties

Melting point 118-122 °C (lit.)
Boiling point 305.09°C (rough estimate)
Density  1.232
refractive index  1.6324 (estimate)
storage temp.  Store below +30°C.
solubility  DMF:20.0(Max Conc. mg/mL);96.97(Max Conc. mM)
DMSO:20.0(Max Conc. mg/mL);96.97(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);2.42(Max Conc. mM)
Ethanol:14.0(Max Conc. mg/mL);67.88(Max Conc. mM)
form  Crystalline Powder
color  Slightly pinkish-orange to beige
Merck  14,3308
BRN  608049
InChI InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
InChIKey HCIBTBXNLVOFER-UHFFFAOYSA-N
SMILES C1(=O)C(C2=CC=CC=C2)=C1C1=CC=CC=C1
LogP 1.769 (est)
CAS DataBase Reference 886-38-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII I7G14NW5EC
NCI Drug Dictionary diphencyprone
UNSPSC Code 12352115
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P261-P272-P280-P302+P352-P333+P313-P362+P364
Hazard Codes  Xi
Risk Statements  38-43
Safety Statements  36/37
WGK Germany  3
HS Code  29142990
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1
NFPA 704:
0
0 0

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