1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1) supplier

Name
5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HYDROCHLORIDE
EINECS
CAS No. 84163-16-6
Article Data3
CAS DataBase
Density
Solubility
Melting Point 300-301 °C
Formula C₁₂H₁₄ClFN₂O
Boiling Point 359 °C at 760 mmHg
Molecular Weight 256.707
Flash Point 170.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, monohydrochloride (9CI);4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidinehydrochloride;5-Fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride;
PSA 38.06000
LogP 3.56470

1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1) Specification

The 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1), with the CAS registry number 84163-16-6, is also known as 4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidinehydrochloride. It belongs to the product category of Oxazoles, Isoxazoles & Benzoxazoles. This chemical's molecular formula is C₁₂H₁₄ClFN₂O and molecular weight is 256.7. What's more, its systematic name is 5-fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride.

Physical properties of 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.27 Å²; (13)Flash Point: 170.9 °C; (14)Enthalpy of Vaporization: 60.45 kJ/mol; (15)Boiling Point: 359 °C at 760 mmHg; (16)Vapour Pressure: 2.46E-05 mmHg at 25°C.

Uses of 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1): it can be used to produce 3-{3-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propyl}-2-methylindole at the temperature of 90 °C. It will need solvent dimethylformamide with the reaction time of 14 hours. The yield is about 43%.

1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1) can be used to produce 3-{3-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propyl}-2-methylindole at the temperature of 90 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc3cc1c(onc1C2CCNCC2)cc3
(2)InChI: InChI=1S/C12H13FN2O.ClH/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
(3)InChIKey: HSOJFILHZZEWJT-UHFFFAOYSA-N

Product Name

5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HYDROCHLORIDE

1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1) Specification

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