Product Name

  • Name

    4-Hydroxytolbutamide

  • EINECS 200-835-2
  • CAS No. 5719-85-7
  • Article Data11
  • CAS DataBase
  • Density 1.268 g/cm3
  • Solubility ethanol: 12 mg/mL in water
  • Melting Point 100-102ºC
  • Formula C12H18 N2 O4 S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 286.352
  • Flash Point °C
  • Transport Information
  • Appearance WHITE TO OFF-WHITE
  • Safety 16-36/37-24/25
  • Risk Codes 11-20/21/22-36
  • Molecular Structure Molecular Structure of 5719-85-7 (4-Hydroxytolbutamide)
  • Hazard Symbols F,Xn
  • Synonyms Urea,1-butyl-3-[(a-hydroxy-p-tolyl)sulfonyl]-(6CI,7CI,8CI); 1-Butyl-3-(p-hydroxymethylphenyl)sulfonylurea;Hydroxymethylcarbutamide; Hydroxymethyltolbutamide; Hydroxytolbutamide
  • PSA 103.88000
  • LogP 2.82950

4-Hydroxytolbutamide Chemical Properties

Molecular Structure of 4-Hydroxytolbutamide (CAS No.5719-85-7):
 
Molecular Formula: C12H18N2O4
Molecular Weight: 286.3473
CAS No: 5719-85-7
IUPAC Name: 1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea  
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 75.3 Å2
Index of Refraction: 1.553
Molar Refractivity: 72.3 cm3
Molar Volume: 225.8 cm3
Surface Tension: 50 dyne/cm
Density: 1.268 g/cm3
InChI: InChI=1/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
InChIKey: SJRHYONYKZIRPM-UHFFFAOYAU
Std. InChI: InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
Std. InChIKey: SJRHYONYKZIRPM-UHFFFAOYSA-N
Product Categories: Various Metabolites and Impurities;Metabolites

4-Hydroxytolbutamide Safety Profile

WGK Germany:3

4-Hydroxytolbutamide Specification

   4-Hydroxytolbutamide (CAS No.5719-85-7), its synonyms are N-(Butylaminocarbonyl)-4-hydroxymethylbenzenesulfonamide ; Benzenesulfonamide, N-((butylamino)carbonyl)-4-(hydroxymethyl)- .

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