IUPAC Name: 3-Methyl-1,2-oxazol-5-amine
Synonyms of 3-Methylisoxazol-5-amine (CAS NO.14678-02-5): 5-Isoxazolamine,3-methyl-
CAS NO: 14678-02-5
Molecular Formula: C4H6N2O
Molecular Weight: 98.1032
Molecular Structure:
EINECS: 238-719-9
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 29.27 Å2
Index of Refraction: 1.524
Molar Refractivity: 25.7 cm3
Molar Volume: 84 cm3
Surface Tension: 46 dyne/cm
Density: 1.167 g/cm3
Flash Point: 93.7 °C
Enthalpy of Vaporization: 46.79 kJ/mol
Boiling Point: 231.3 °C at 760 mmHg
Vapour Pressure: 0.0629 mmHg at 25°C
Melting Point: 85-87 °C(lit.)
Storage temp: Keep Cold
Appearance: yellow to orange-brown crystalline powder
SMILES: n1oc(N)cc1C
InChI: InChI=1/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3
InChIKey: FNXYWHTZDAVRTB-UHFFFAOYAA
Std. InChI: InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3
Std. InChIKey: FNXYWHTZDAVRTB-UHFFFAOYSA-N
Product Categories of 3-Methylisoxazol-5-amine (CAS NO.14678-02-5): Building Blocks;Heterocyclic Building Blocks;Isoxazoles
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store 3-Methylisoxazol-5-amine (CAS NO.14678-02-5) in a cool, dry place. Store in a tightly closed container.
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