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

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Name

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

EINECS 600-732-6
CAS No. 106266-04-0 Density 1,02 g/cm3
PSA 29.10000 LogP 3.27790
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 N/A Appearance White or light brown powder
Safety 26-37 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 106266-04-0 (4-(2,4-Difluorobenzoyl)-piperidine hydrochloride) Hazard Symbols Xn
Synonyms

Methanone,(2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (9CI);4-(2,4-Difluorobenzoyl)piperidinehydrochloride;

 

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

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