2654-57-1

Name 1-Phenyl-4-methyl-3-pyrazolidone
CAS 2654-57-1
EINECS(EC#) 220-180-6
Molecular Formula C10H12N2O
MDL Number MFCD00044800
Molecular Weight 176.22
MOL File 2654-57-1.mol

Chemical Properties

Appearance SLIGHTLY YELLOW TO BEIGE FINE CRYSTALLINE POWDER
Melting point  133-136 °C
Boiling point  307.83°C (rough estimate)
density  1.1102 (rough estimate)
vapor pressure  0.001Pa at 25℃
refractive index  1.7110 (estimate)
storage temp.  Dark Room
solubility  soluble in Methanol
form  powder to crystal
pka 9.54±0.70(Predicted)
color  White to Light yellow
Water Solubility  754.801mg/L at 30℃
InChI InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)
InChIKey ZZEYCGJAYIHIAZ-UHFFFAOYSA-N
SMILES N1(C2=CC=CC=C2)CC(C)C(=O)N1
LogP 0.624 at 25℃
CAS DataBase Reference 2654-57-1(CAS DataBase Reference)
EPA Substance Registry System 2654-57-1(EPA Substance)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR  2811
TSCA  TSCA listed
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
HS Code  29331990

Hazard Information

Material Safety Data Sheet(MSDS)

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