Basic information
- Name:
1,2-Benzisoxazol-3-amine
- Superlist Name:
- 3-Amino-1,2-benzisoxazole
- CAS No.:
36216-80-5
- Molecular Structure:

- Formula:
- C7H6 N2 O
- Molecular Weight:
- 134.13
- Synonyms:
- 1,2-Benzisoxazole,3-amino- (6CI,7CI);3-Amino-1,2-benzisoxazole;3-Aminobenzisoxazole;Benzo[d]isoxazol-3-ylamine;
- Melting Point:
- 110 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37/39 Details
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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 ![]()
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)

