6-Amino-1,2-benzisoxazole supplier

Name
6-Amino-1,2-benzisoxazole
EINECS
CAS No. 828300-70-5
Article Data2
CAS DataBase
Density 1.317g/cm³
Solubility
Melting Point
Formula C₇H₆N₂O
Boiling Point 311.6 °C at 760 mmHg
Molecular Weight 134.137
Flash Point 142.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-AMINO-1,2-BENZISOXAZOLE;1,2-Benzisoxazol-6-amine;Benzo[d]isoxazol-6-aMine
PSA 52.05000
LogP 1.99120

6-Amino-1,2-benzisoxazole Specification

The 6-Amino-1,2-benzisoxazole, with cas registry number 828300-70-5, has the systematic name of 1,2-Benzoxazol-6-amine. And the chemical formula of this chemical is C₇H₆N₂O.

Physical properties about this chemical are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.08; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 36.82; (8)ACD/KOC (pH 7.4): 36.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.05 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 38.72 cm³; (15)Molar Volume: 101.8 cm³; (16)Polarizability: 15.35×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Enthalpy of Vaporization: 55.25 kJ/mol; (19)Vapour Pressure: 0.000559 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnoc2cc1N
(2)InChI: InChI=1/C7H6N2O/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2
(3)InChIKey: PWLPLUATWXICAC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6N2O/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2
(5)Std. InChIKey: PWLPLUATWXICAC-UHFFFAOYSA-N

Product Name

6-Amino-1,2-benzisoxazole

6-Amino-1,2-benzisoxazole Specification

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