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Cas Database

Name

(3-Phenyl-5-isoxazolyl)methanol

EINECS

N/A

CAS No.

90924-12-2

Density

1.211g/cm³

PSA

46.26000

LogP

1.83390

Solubility

N/A

Melting Point

45-47°C

Formula

C10H9 N O2

Boiling Point

362.8°Cat760mmHg

Molecular Weight

175.187

Flash Point

173.2°C

Transport Information

N/A

Appearance

N/A

Safety

Hazard Note

Harmful

Risk Codes

22-36/37/38

Molecular Structure

Hazard Symbols

Synonyms

(3-Phenylisoxazol-5-yl)methanol;3-Phenyl-5-(hydroxymethyl)isoxazole; 3-Phenylisoxazole-5-methanol

Article Data

(3-Phenyl-5-isoxazolyl)methanol Chemical Properties

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

(3-Phenyl-5-isoxazolyl)methanol Safety Profile

Hazard Note: Harmful
HazardClass: IRRITANT

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