4-Isoxazolepropanol supplier | CasNO.10421-09-7

Name
CHEMBRDG-BB 4009738
EINECS
CAS No. 10421-09-7
Density 1.132 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₂
Boiling Point 260.8 °C at 760 mmHg
Molecular Weight 127.14
Flash Point 111.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(1,2-Oxazol-4-yl)propan-1-ol;3-Isoxazol-4-ylpropan-1-ol;
PSA 46.26000
LogP 0.59950

4-Isoxazolepropanol Specification

The 4-Isoxazolepropanol, with the CAS registry number 10421-09-7, is also known as 3-(1,2-Oxazol-4-yl)propan-1-ol. This chemical's molecular formula is C₆H₉NO₂ and molecular weight is 127.14. What's more, its systematic name is 3-Isoxazol-4-ylpropan-1-ol.

Physical properties of 4-Isoxazolepropanol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.22; (5)ACD/KOC (pH 7.4): 17.22; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 46.26 Å²; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 32.36 cm³; (12)Molar Volume: 112.2 cm³; (13)Polarizability: 12.82×10^-24 cm³; (14)Surface Tension: 43.5 dyne/cm; (15)Density: 1.132 g/cm³; (16)Flash Point: 111.5 °C; (17)Enthalpy of Vaporization: 52.66 kJ/mol; (18)Boiling Point: 260.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0061 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCc1conc1
(2)InChI: InChI=1/C6H9NO2/c8-3-1-2-6-4-7-9-5-6/h4-5,8H,1-3H2
(3)InChIKey: UAJXYTTYMXWESL-UHFFFAOYAX

Product Name

CHEMBRDG-BB 4009738

4-Isoxazolepropanol Specification

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