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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole structure

CAS No:
84163-77-9
Formula:
C12H13FN2O
Chemical Name:
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Synonyms:
1,2-Benzisoxazole,6-fluoro-3-(4-piperidinyl)-;6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole;R 56109;4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine;6-Fluoro-3-(4-piperidinyl)benzisoxazole;6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole;3-(4-Piperidinyl)-6-fluorobenzo[d]isoxazole;4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidine;6-Fluoro-3-(piperidin-4-yl)benz[d]isoxazole
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Basic Attributes

Molecular Weight：

220.24

Exact Mass：

220.24

EC Number：

617-540-3

UNII：

3911L280X6

DSSTox ID：

DTXSID50233083

Characteristics

PSA：

38.1 Å²

Density：

1.216±0.06 g/cm3

Melting Point：

302-306 °C

Boiling Point：

359.0±42.0 °C(Predicted)

PKA：

9.74±0.10

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

25-36/37/38

safety instructions：

45-26

Marks：

GHS Classification：

|Danger|H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole is a known human metabolite of risperidone.

MeSH Entry Terms：

3-(4-piperidyl)-6-fluoro-1,2-benzisoxazole

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Use and Manufacturing

An Intermediate in the synthesis of risperidone and iloperidone.

Computed Properties

Molecular Weight:220.24
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:220.10119120
Monoisotopic Mass:220.10119120
Topological Polar Surface Area:38.1
Heavy Atom Count:16
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 84163-77-9

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Guide of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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