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5719-85-7

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

Molecular Structure of 4-Hydroxytolbutamide (CAS No.5719-85-7):
 
Molecular Formula: C12H18N2O4S 
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

Safety Profile

WGK Germany:3

Specification

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