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Cas Database |
| Name |
4-Hydroxytolbutamide |
EINECS | 200-835-2 |
| CAS No. | 5719-85-7 | Density | 1.268 g/cm3 |
| PSA | 103.88000 | LogP | 2.82950 |
| 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 | N/A | Appearance | WHITE TO OFF-WHITE |
| Safety | 16-36/37-24/25 | Risk Codes | 11-20/21/22-36 |
| Molecular Structure |
|
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 |
Article Data | 11 |
4-Hydroxytolbutamide Chemical Properties
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
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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