Isoxazole

C₃H₃NOCAS 288-14-269.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₃NO
Molar mass: 69.06 g/mol
Exact mass: 69.0215 Da
Density: 1.078 g/mL (at 20 °C)
Melting point: 118–119 °C
Boiling point: 95 °C
logP: 0.67Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage69.5% of notifiers
H318 Causes serious eye damage68.9% of notifiers

Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

288-14-2

SMILES

c1cnoc1

InChIKey

CTAPFRYPJLPFDF-UHFFFAOYSA-N

InChI

InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

1-Oxa-2-azacyclopentadiene
1,2-Oxazole
NSC 137774
2-Azafuran

Work with Isoxazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Oxazole288-42-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia