4-(2,4-Difluorobenzoyl)-piperidine hydrochloride supplier

Name
4-(2,4-Difluorobenzoyl)-piperidine hydrochloride
EINECS 600-732-6
CAS No. 106266-04-0
Density 1,02 g/cm3
Solubility soluble in water
Melting Point 203-206°C (dec.)
Formula C₁₂H₁₃F₂NO^.HCl
Boiling Point 350.3 °C at 760 mmHg
Molecular Weight 261.70
Flash Point 165.7 °C
Transport Information
Appearance White or light brown powder
Safety 26-37
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Methanone,(2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (9CI);4-(2,4-Difluorobenzoyl)piperidinehydrochloride;
PSA 29.10000
LogP 3.27790

4-(2,4-Difluorobenzoyl)-piperidine hydrochloride Specification

The systematic name of Methanone,(2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) is (2,4-difluorophenyl)(piperidin-4-yl)methanone hydrochloride (1:1). With the CAS registry number 106266-04-0, it is also named as (2,4-Difluorophenyl)-4-piperidinyl-methanone HCl. The product's categories are (Intermediate of Risperidone); Pharmaceutical. It is white or light brown powder which is soluble in water and stable under normal temperature and pressure. What's more, it is used as pharmaceutical intermediate. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.1 Å²; (11)Density: g/cm³; (12)Flash Point: 165.7 °C; (13)Enthalpy of Vaporization: 60.66 kJ/mol; (14)Boiling Point: 350.3 °C at 760 mmHg; (15)Vapour Pressure: 3.12E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(c1ccc(F)cc1F)C2CCNCC2
2. InChI:InChI=1/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
3. InChIKey:QPJONRGTWKXJLG-UHFFFAOYAH
4. Std. InChI:InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
5. Std. InChIKey:QPJONRGTWKXJLG-UHFFFAOYSA-N

Product Name

4-(2,4-Difluorobenzoyl)-piperidine hydrochloride

4-(2,4-Difluorobenzoyl)-piperidine hydrochloride Specification

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