Basic information
- Name:
Methanone,(2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)
- Superlist Name:
- 4-(2,4-Difluorobenzoyl)-piperidine hydrochloride
- CAS No.:
106266-04-0
- Molecular Structure:
- Formula:
- C12H13F2NO.HCl
- Molecular Weight:
- 261.70
- Synonyms:
- Methanone,(2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (9CI);4-(2,4-Difluorobenzoyl)piperidinehydrochloride;
- Boiling Point:
- 350.3 °C at 760 mmHg
- Flash Point:
- 165.7 °C
- Solubility:
- soluble in water
- Appearance:
- White or light brown powder
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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