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Cas Database |
| Name |
3-Amino-5-tert-butylisoxazole |
EINECS | -0 |
| CAS No. | 55809-36-4 | Density | 1.042 g/cm3 |
| PSA | 52.05000 | LogP | 2.13550 |
| Solubility | N/A | Melting Point |
110-114 °C |
| Formula | C7H12N2O | Boiling Point | 248.1 °C at 760 mmHg |
| Molecular Weight | 140.185 | Flash Point | 103.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
3-Amino-5-t-butylisoxazole;3-Isoxazolamine,5-(1,1-dimethylethyl)-;5-(1,1-Dimethylethyl)-3-isoxazolamine;5-(tert-Butyl)isoxazole-3-amine;5-tert-Butyl-3-aminoisoxazole;5-tert-Butylisoxazol-3-amine;5-tert-Butylisoxazol-3-ylamine;3-Amino-5-t-butyl-isoxazole; |
Article Data | 14 |
3-Amino-5-tert-butylisoxazole Chemical Properties
Molecule structure of 3-Amino-5-tert-butylisoxazole (CAS NO.55809-36-4):
IUPAC Name: 5-tert-Butyl-1,2-oxazol-3-amine
Molecular Weight: 140.18298 g/mol
Molecular Formula: C7H12N2O
Density: 1.042 g/cm3
Melting Point: 110-114 °C
Boiling Point: 248.1 °C at 760 mmHg
Flash Point: 103.9 °C
Index of Refraction: 1.496
Molar Refractivity: 39.26 cm3
Molar Volume: 134.4 cm3
Surface Tension: 36 dyne/cm
Enthalpy of Vaporization: 48.53 kJ/mol
Vapour Pressure: 0.0247 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 140.094963
MonoIsotopic Mass: 140.094963
Topological Polar Surface Area: 52
Heavy Atom Count: 10
Canonical SMILES: CC(C)(C)C1=CC(=NO1)N
InChI: InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
InChIKey: GGXGVZJHUKEJHO-UHFFFAOYSA-N
Product Categories of 3-Amino-5-tert-butylisoxazole (CAS NO.55809-36-4): Oxazole&Isoxazole; Building Blocks; Heterocyclic Building Blocks; Isoxazoles
3-Amino-5-tert-butylisoxazole Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 22-36/37/38-37/38-36
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R37/38:Irritating to respiratory system and skin.
R36:Irritating to eyes.
Safety Statements: 26-36-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37:Wear suitable gloves.
Hazard Note: Irritant
HazardClass: IRRITANT
3-Amino-5-tert-butylisoxazole Specification
3-Amino-5-tert-butylisoxazole (CAS NO.55809-36-4) is also named as 3-Isoxazolamine,5-(1,1-dimethylethyl)- ; 3-Amino-5-t-butylisoxazole ; 5-(1,1-Dimethylethyl)-3-isoxazolamine ; 5-tert-Butyl-3-aminoisoxazole ; 5-tert-Butylisoxazol-3-amine ; 3-Amino-5-t-butyl-isoxazole .
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