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CAS No.: | 90924-12-2 | ||
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Name: | (3-PHENYL-5-ISOXAZOLYL)METHANOL | ||
Article Data: | 33 | ||
Molecular Structure: | |||
Formula: | C10H9 N O2 | ||
Molecular Weight: | 175.187 | ||
Synonyms: | (3-Phenylisoxazol-5-yl)methanol;3-Phenyl-5-(hydroxymethyl)isoxazole; 3-Phenylisoxazole-5-methanol | ||
Density: | 1.211g/cm3 | ||
Melting Point: | 45-47°C | ||
Boiling Point: | 362.8°Cat760mmHg | ||
Flash Point: | 173.2°C | ||
Hazard Symbols: | Xn | ||
Risk Codes: | 22-36/37/38 | ||
Safety: |
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PSA: | 46.26000 | ||
LogP: | 1.83390 |
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IUPAC Name: (3-Phenyl-1,2-oxazol-5-yl)methanol
Synonyms of (3-Phenylisoxazol-5-yl)methanol (CAS NO.90924-12-2): 5-Isoxazolemethanol,3-phenyl- ; 5-(Hydroxymethyl)-3-phenylisoxazole
CAS NO: 90924-12-2
Molecular Formula: C10H9NO2
Molecular Weight: 175.184
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 35.26 Å2
Index of Refraction: 1.573
Molar Refractivity: 47.68 cm3
Molar Volume: 144.5 cm3
Surface Tension: 48.9 dyne/cm
Density: 1.211 g/cm3
Flash Point: 173.2 °C
Enthalpy of Vaporization: 64.23 kJ/mol
Boiling Point: 362.8 °C at 760 mmHg
Vapour Pressure: 6.73E-06 mmHg at 25°C
Melting Point: 45-47°C
SMILES: n1oc(cc1c2ccccc2)CO
InChI: InChI=1/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChIKey: CITYOBPAADIHAD-UHFFFAOYAF
Std. InChI: InChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
Std. InChIKey: CITYOBPAADIHAD-UHFFFAOYSA-N
Hazard Note: Harmful
HazardClass: IRRITANT