CAS No.55809-36-4,3-Amino-5-tert-butylisoxazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	55809-36-4
Name:	3-Amino-5-tert-butylisoxazole
Article Data:	14

Formula:	C₇H₁₂N₂O
Molecular Weight:	140.185
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;
EINECS:	-0
Density:	1.042 g/cm³
Melting Point:	110-114 °C
Boiling Point:	248.1 °C at 760 mmHg
Flash Point:	103.9 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	52.05000
LogP:	2.13550

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Chemistry

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

Safety Profile

Hazard Codes: Harmful Xn, Irritant 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

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 .