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| CAS No.: | 36216-80-5 |
|---|---|
| Name: | 3-Amino-1,2-benzisoxazole |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6 N2 O |
| Molecular Weight: | 134.137 |
| Synonyms: | 1,2-Benzisoxazole,3-amino- (6CI,7CI);3-Amino-1,2-benzisoxazole;3-Aminobenzisoxazole;Benzo[d]isoxazol-3-ylamine; |
| Density: | 1.317g/cm3 |
| Melting Point: | 110 °C |
| Boiling Point: | 311.6°C at 760 mmHg |
| Flash Point: | 142.2°C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.05000 |
| LogP: | 1.99120 |
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Chemistry
1,2-Benzisoxazol-3-amine (36216-80-5) is called for 3-Amino-1,2-benzisoxazole ; OTAVA-BB BB7119710108 ; AKOS BBS-00002920 ; 1,2-Benzisoxazol-3-amine ; IFLAB-BB F1935-0009 ; Benzo[D]isoxazol-3-ylamine ; [1,2]Oxazolo[5,4-b]pyridin-3-amine ; TL8002676 ; S05-0079 ,and so on.
IUPAC Name: 1,2-Benzoxazol-3-amine
CAS: 36216-80-5
Molecular Formula: C7H6N2O
Molecular Weight: 134.14
Molecular structure:
Melting point: 110 °C
ACD/LogD (pH 5.5): 0.35
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 5.5): 1.08
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 5.5): 36.82
ACD/KOC (pH 7.4): 36.84
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Index of Refraction: 1.685
Molar Refractivity: 38.72 cm3
Molar Volume: 101.8 cm3
Polarizability: 15.35 10-24cm3
Surface Tension: 61.3 dyne/cm
Density: 1.317 g/cm3
Flash Point: 142.2 °C
Enthalpy of Vaporization: 55.25 kJ/mol
Boiling Point: 311.6 °C at 760 mmHg
Vapour Pressure: 0.000559 mmHg at 25°C
Uses
1,2-Benzisoxazol-3-amine (36216-80-5) is commonly used as pharmaceutical intermediate.
Safety Profile
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 36/37/38 (36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 26-36/37/39-37/39 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39: Wear suitable protective clothing, gloves and eye/face protection 37/39: Wear suitable gloves and eye/face protection)
Hazard Note: Irritant
Specification
Removal in wastewater treatment of 1,2-Benzisoxazol-3-amine (36216-80-5) can be stated as follows:
Total removal:1.87 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.78 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)