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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:
  • IrritantXi
  • 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 cm
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)

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