Isoxazole-3-carbaldehyde supplier

Name
Isoxazole-3-carbaldehyde
EINECS
CAS No. 89180-61-0
Density 1.258 g/cm³
Solubility
Melting Point
Formula C₄H₃NO₂
Boiling Point 211.9 °C at 760 mmHg
Molecular Weight 97.0733
Flash Point 81.9 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36-43
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Formylisoxazole;Isoxazole-3-carbaldehyde;1,2-oxazole-3-carbaldehyde;
PSA 43.10000
LogP 0.48710

Isoxazole-3-carbaldehyde Specification

The Isoxazole-3-carbaldehyde with the CAS number 89180-61-0 is also called 3-Isoxazolecarboxaldehyde. The systematic name is 1,2-oxazole-3-carbaldehyde. Its molecular formula is C₄H₃NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Isoxazole-3-carbaldehyde 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): 12.76; (5)ACD/KOC (pH 7.4): 12.76; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 43.1 Å²; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 23.39 cm³; (12)Molar Volume: 77.1 cm³; (13)Polarizability: 9.27×10^-24cm³; (14)Surface Tension: 45.6 dyne/cm; (15)Enthalpy of Vaporization: 44.82 kJ/mol; (16)Vapour Pressure: 0.178 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccon1
(2)InChI: InChI=1/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H
(3)InChIKey: WNVZOHNNPDZYFN-UHFFFAOYAU

Product Name

Isoxazole-3-carbaldehyde

Isoxazole-3-carbaldehyde Specification

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