4-Methylphenylsulfonylurea Structure

4-Methylphenylsulfonylurea

Chemical Properties

Melting point 196-198 °C
Density  1.3844 (rough estimate)
refractive index  1.5690 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
pka 5.07±0.10(Predicted)
form  Solid
color  White to Off-White
Water Solubility  777.9mg/L(37 ºC)
InChI InChI=1S/C8H10N2O3S/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey RUTYWCZSEBLPAK-UHFFFAOYSA-N
SMILES C1(S(NC(N)=O)(=O)=O)=CC=C(C)C=C1
CAS DataBase Reference 1694-06-0(CAS DataBase Reference)
FDA UNII Q9W3K7K5XB
UNSPSC Code 12352200

Safety

Symbol(GHS) Health Hazard (GHS08)Flame (GHS02)
Signal wordDanger
Hazard statements H304-H225
Precautionary statements P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
Hazard Codes  C
Risk Statements  34
Safety Statements  45-36/37/39-26
WGK Germany  WGK 3
HS Code  2935.90.9500
Storage Class 11 - Combustible Solids

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