1,2-Benzisoxazol-3-amine,5-fluoro- supplier

Name
1,2-Benzisoxazol-3-amine, 5-fluoro-
EINECS
CAS No. 868271-13-0
Density 1.434 g/cm³
Solubility
Melting Point
Formula C₇H₅FN₂O
Boiling Point 315 °C at 760 mmHg
Molecular Weight 152.13
Flash Point 144.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Fluorobenzo[d]isoxazol-3-ylamine;
PSA 52.05000
LogP 2.13030

1,2-Benzisoxazol-3-amine,5-fluoro- Specification

The 1, 2-Benzisoxazol-3-amine, 5-fluoro-, with the CAS registry number of 868271-13-0, is also known as 5-Fluorobenzo[d]isoxazol-3-ylamine. This chemical's molecular formula is C₇H₅FN₂O. What's more, its systematic name is called 5-Fluoro-1, 2-benzoxazol-3-amine.

Physical properties about 1, 2-Benzisoxazol-3-amine, 5-fluoro- are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.3; (8)ACD/KOC (pH 7.4): 39.3; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.05 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 38.71 cm³; (15)Molar Volume: 106 cm³; (16)Polarizability: 15.34×10^-24 cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.434 g/cm³; (19)Flash Point: 144.3 °C; (20)Enthalpy of Vaporization: 55.62 kJ/mol; (21)Boiling Point: 315 °C at 760 mmHg; (22)Vapour Pressure: 0.000449 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1F)c(no2)N
(2) InChI: InChI=1/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
(3) InChIKey: MBKJAWUGNSKUIU-UHFFFAOYAA

Product Name

1,2-Benzisoxazol-3-amine, 5-fluoro-

1,2-Benzisoxazol-3-amine,5-fluoro- Specification

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