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Isoxazole

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Name

Isoxazole

EINECS 206-018-7
CAS No. 288-14-2 Density 1.055 g/cm3
PSA 26.03000 LogP 0.67460
Solubility N/A Melting Point -67.1°C
Formula C3H3NO Boiling Point 95.5 °C at 760 mmHg
Molecular Weight 69.0629 Flash Point 8.9 °C
Transport Information UN 1993 3/PG 2 Appearance colorless liquid
Safety 16-23/33-33-29-7/9 Risk Codes 11
Molecular Structure Molecular Structure of 288-14-2 (Isoxazole) Hazard Symbols FlammableF, IrritantXi
Synonyms

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

Article Data 61

Isoxazole Synthetic route

4405-17-8

di(1,3-dioxolan-2-yl)methane

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydroxylamine hydrochloride at 110 - 120℃; Green chemistry;85.5%
122-31-6

malondialdehyde bis(diethyl acetal)

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydroxylamine hydrochloride In water at 70℃; for 3.5h;43%
With hydrogenchloride; water; hydroxylamine
With hydrogenchloride; hydroxylamine
With hydroxylamine hydrochloride
84405-51-6

Trimethylsilanecarbonitrile oxide

74-86-2

acetylene

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
In tetrahydrofuran; water under 760 Torr; for 1.5h; Ambient temperature;28%
With water In tetrahydrofuran Ambient temperature; Yield given;
624-67-9

Propargylic aldehyde

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydroxylamine
With hydrogenchloride; hydroxylamine
5444-80-4

1,3,3-triethoxypropene

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydrogenchloride; water; hydroxylamine
108-05-4

vinyl acetate

15736-98-8

sodium cyanate

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With sulfuric acid Erhitzen des Reaktionsprodukts mit wss. H2SO4;
4643-13-4

3t-chloro-propenal

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydrogenchloride; water; hydroxylamine
98021-69-3

acetic acid-(1-bromo-3,3-dichloro-propyl ester)

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydrogenchloride; ethanol; hydroxylamine
With hydrogenchloride; ethanol; hydroxylamine; sodium acetate
86046-91-5

1-acetoxy-1,3,3-tribromopropane

288-14-2

ISOXAZOLE

Conditions
ConditionsYield
With hydrogenchloride; ethanol; hydroxylamine
With hydrogenchloride; ethanol; hydroxylamine; sodium acetate
15736-98-8

sodium cyanate

74-86-2

acetylene

A

288-14-2

ISOXAZOLE

B

isoxazole-3-carbaldehyde-oxime

isoxazole-3-carbaldehyde-oxime

Conditions
ConditionsYield
With sulfuric acid

Isoxazole Chemical Properties

Molecular structure of Isoxazole (CAS NO.288-14-2) is:

Product Name: Isoxazole
CAS Registry Number: 288-14-2
IUPAC Name: 1,2-oxazole
Molecular Weight: 69.06202 [g/mol]
Molecular Formula: C3H3NO
XLogP3: 0.1
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 206-018-7
Surface Tension: 31.7 dyne/cm
Density: 1.055 g/cm3
Flash Point: 8.9 °C 
Refractive index: n20/D 1.427(lit.)
Enthalpy of Vaporization: 32.12 kJ/mol
Boiling Point: 95.5 °C at 760 mmHg
Vapour Pressure: 51.7 mmHg at 25 °C
Product Categories: Isoxazoles, Oxadiazoles, Oxazoles;pharmacetical;Boronic ester;Isoxazole;Organoborons;Thiophens;Building Blocks;Heterocyclic Building Blocks;Isoxazoles

Isoxazole Uses

 Isoxazole (CAS NO.288-14-2) is used in organic synthesis.

Isoxazole Safety Profile

Hazard Codes: FlammableF,IrritantXi
Risk Statements: 11 
R11:Highly flammable.
Safety Statements: 16-23/33-33-29-7/9 
S16:Keep away from sources of ignition. 
S23:Do not breathe vapour.
S33:Take precautionary measures against static discharges. 
S29:Do not empty into drains. 
S7/9:Keep container tightly closed and in a well-ventilated place.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
F: 10
Hazard Note: Highly Flammable
HazardClass: 3
PackingGroup: II
HS Code: 29349990

Isoxazole Specification

 Isoxazole , its cas register number is 288-14-2. It also can be called 1,2-Oxazole ; 1-Oxa-2-azacyclopentadiene .It is a colorless liquid and very soluble in water.It can be found in some natural products, such as ibotenic acid ,and it also form the basis for a number of drugs, including the COX-2 inhibitor valdecoxib (Bextra).

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