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Cas Database |
| Name |
[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol |
EINECS | N/A |
| CAS No. | 206055-86-9 | Density | 1.217±0.06 g/cm3(Predicted) |
| PSA | 55.49000 | LogP | 1.84250 |
| Solubility | N/A | Melting Point |
97-98oC |
| Formula | C11H11 N O3 | Boiling Point | 396.1±37.0 °C(Predicted) |
| Molecular Weight | 205.213 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol;[3-(4-methoxyphenyl)isoxazol-5-yl]methan-1-ol;3-((4-methoxyphenyl)isoxazol-5-yl)methanol;3-(4-methoxyphenyl)-5-hydroxymethylisoxazole; |
Article Data | 22 |
[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol Chemical Properties
IUPAC Name: [3-(4-Methoxyphenyl)-1,2-oxazol-5-yl]methanol
Synonyms of [3-(4-Methoxyphenyl)-5-isoxazolyl]methanol (CAS NO.206055-86-9): 5-Isoxazolemethanol,3-(4-methoxyphenyl)- ; [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol
CAS NO: 206055-86-9
Molecular Formula: C11H11NO3
Molecular Weight: 205.21
Molecular Structure: 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 44.49 Å2
Index of Refraction: 1.558
Molar Refractivity: 54.36 cm3
Molar Volume: 168.5 cm3
Surface Tension: 46 dyne/cm
Density: 1.217 g/cm3
Flash Point: 193.4 °C
Enthalpy of Vaporization: 68.17 kJ/mol
Boiling Point: 396.1 °C at 760 mmHg
Vapour Pressure: 5.51E-07 mmHg at 25°C
Melting Point: 97-98°C
SMILES: n1oc(cc1c2ccc(OC)cc2)CO
InChI: InChI=1/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3
InChIKey: SROFDUACOHNMJB-UHFFFAOYAM
Std. InChI: InChI=1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3
Std. InChIKey: SROFDUACOHNMJB-UHFFFAOYSA-N
Product Categories of [3-(4-Methoxyphenyl)-5-isoxazolyl]methanol (CAS NO.206055-86-9): pharmacetical;API intermediates
[3-(4-Methoxyphenyl)-5-isoxazolyl]methanol Safety Profile
Hazard Codes: 
Xi
HazardClass: IRRITANT
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