89-36-1

Name 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
CAS 89-36-1
EINECS(EC#) 201-901-3
Molecular Formula C10H10N2O4S
MDL Number MFCD00020756
Molecular Weight 254.26
MOL File 89-36-1.mol
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Chemical Properties

Appearance BEIGE POWDER
Melting point  >252 °C (dec.) (lit.)
density  1.4456 (rough estimate)
vapor pressure  0.001Pa at 20℃
refractive index  1.5650 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Powder
pka pKa 4.90 (H2O t = 37 I = 0.15) (Uncertain)
color  White to Orange to Green
Water Solubility  5 g/L (20 ºC)
BRN  619424
InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
InChIKey CWJQQASJVVAXKL-UHFFFAOYSA-N
SMILES C1(S(O)(=O)=O)=CC=C(N2C(=O)CC(C)=N2)C=C1
LogP -2.04 at 23℃ and pH7
CAS DataBase Reference 89-36-1(CAS DataBase Reference)
EPA Substance Registry System 89-36-1(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Hazard Codes  C
Risk Statements 
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 1759 8/PG 2
WGK Germany  1
TSCA  TSCA listed
REACH Registrations Active
HazardClass  8
PackingGroup  II
HS Code  29331990
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B

Hazard Information

Material Safety Data Sheet(MSDS)

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