Basic information
- CAS
84163-16-6- Standard SMILES
Cl.Fc1ccc2onc(C3CCNCC3)c2c1- InChIKey
HSOJFILHZZEWJT-UHFFFAOYSA-N- Molecular formula
- C12H14ClFN2O
- Average molar mass
- 256.7 g/mol
- Monoisotopic mass
- 256.07786897
Names & identifiers
- Preferred name
- 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
- IUPAC
- 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
- English name
- 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
- Molecular formula
- C12H14ClFN2O
- Molecular weight
- 256.7
Names & synonyms
5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride5-Fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole hydrochlorideRefChem:535865664-156-7690-836-884163-16-65-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride5-Fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride5-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochlorideMFCD062008791,2-Benzisoxazole, 5-fluoro-3-(4-piperidinyl)-, monohydrochloride5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
Show more names
5-Fluoro-3-(piperidin-4-yl)Iloperidone Impurity 22 HClIloperidone Impurity 27(Hydrochloride)5-fluoro-3-piperidin-4-yl-1,2-benzoxazole5-Fluoro-3-piperidin-4-yl-benzo[d]isoxazole5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazoleHCl5-fluoro-3-(4-piperidinyl)-1,2-benzoxazole hydrochloride
4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloridePaliperidone Impurity 9F9995-0329HSOJFILHZZEWJT-UHFFFAOYSA-NIloperidone Impurity 3(HCl)5-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole HClbenzo[d]isoxazole hydrochlorideorb3030809
Database identifiers
- CAS
84163-16-6、84163-64-4- PubChem CID
- 2794754
- DTXSID
DTXSID00383380- EC Number
- 664-156-7、690-836-8
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 300 · 300-301
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White
- Sensitive
- Hygroscopic
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302+H312+H332 (90.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (96.8%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesAn intermediate of 5-Fluoro Risperidone (F595925).
Suppliers34 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
嘉兴诺华化工有限公司18957373295
凯试（上海）科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
湖北摩科生物科技有限公司17320513646 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
7 records
Compound notes
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