Basic information
- CAS
135634-18-3- Standard SMILES
Cl.ON=C(c1ccc(F)cc1F)C1CCNCC1- InChIKey
CPVWKXXFKMUDPA-UHFFFAOYSA-N- Molecular formula
- C12H15ClF2N2O
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.08409722
Names & identifiers
- Preferred name
- Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)
- IUPAC
- N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride
- English name
- 2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
- Molecular formula
- C12H14F2N2O.ClH
- Molecular weight
- 276.71
Names & synonyms
135634-18-3Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)RefChem:10891102,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride(2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride(2,4-difluorophenyl)-(4-piperidyl)methanone oxime;hydrochloride((2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochlorideSCHEMBL1833472DTXSID90723695CPVWKXXFKMUDPA-UHFFFAOYSA-NN-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochlorideSB43108
Show more names
NH26248Paliperidone Impurity 30Paliperidone Impurity 15 HClPaliperidone Impurity 12 HClPaliperidone Impurity 105 HCl(2, 4-dp)-piperidin-4-yl-methanone oximehcl(2,4-DIFLUOROPHENYL)(PIPERIDIN-4-YL)METHANONE OXIME HCL(2,4-difluorophenyl) (piperidin-4-yl) methanone oxime HCI4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2933.39 · 2933.39.9200
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.39.9200
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesNH26248 is used in preparation of Iloperidone. Also, used in preparation of Amine derivatives as Potassium channel blockers useful in treatment and prevention of autoimmune and inflammatory diseases.
Upstream & downstream products
Downstream products
Suppliers92 total
北京京宇复瑞科技集团有限责任公司010-83694934 13671295325
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.
Related reactions
5 records
Compound notes
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