Basic information
- CAS
3109-12-4- Standard SMILES
O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1- InChIKey
FEFFZKPQSVTBAY-UHFFFAOYSA-N- Molecular formula
- C21H24FNO2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.17910717
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
- IUPAC
- 1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
- English name
- Dechloro Haloperidol (Haloperidol Impurity B)
- Molecular formula
- C21H24FNO2
- Molecular weight
- 341.42
Names & synonyms
3109-12-4Dechlorohaloperidol1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-oneBRN 0316568QKZ09O18R6BUTYROPHENONE, 4'-FLUORO-4-(4-HYDROXY-4-PHENYLPIPERIDINO)-UNII-QKZ09O18R6DTXSID909531924-(4'-Phenyl-4'-hydroxypiperidino)-p-fluorobutyrophenoneHALOPERIDOL IMPURITY A [EP IMPURITY]R-18384-21-00-00656 (Beilstein Handbook Reference)
Show more names
R 1838Haloperidol impurity BHaloperidol EP Impurity AHaloperidol EP impuritiesAHaloperidol EP impurity A -FHALOPERIDOL EP IMPURITY A / DECHLORO HALOPERIDOLHaloperidol Impurity 1(Haloperidol EP Impurity A)4'-Fluoro-4-(4-hydroxy-4-phenylpiperidino)butyrophenone
1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-HALOPERIDOL IMPURITY A (EP IMPURITY)RefChem:196956DTXCID501381250Dechloro HaloperidolDeschlorohaloperidolDechloro Haloperidol (Haloperidol Impurity B)CHEMBL54206
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 135.6 · 135.6-136.2 °C
- Boiling point
- 504.4 · 504.4±50.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 14.06 · 14.06±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 9 O18R6 · QKZ09O18R6
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H317-H319-H301
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Danger
- Hazard statements
- H335-H315-H317-H319-H301
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesHaloperidol impurity B.
Suppliers38 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
佛山宝诺生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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