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| CAS No.: | 23642-66-2 |
|---|---|
| Name: | Benfluorex hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C19H21ClF3NO2 |
| Molecular Weight: | 387.82 |
| Synonyms: | Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, benzoate (ester), hydrochloride;Ethanol, 2-[[a-methyl-m-(trifluoromethyl)phenethyl]amino]-, benzoate (ester),hydrochloride (8CI);JP 992;Mediator;Mediaxal; |
| EINECS: | 245-801-8 |
| Density: | 1.183g/cm3 |
| Melting Point: | 158-159?C |
| Boiling Point: | 420.5 °C at 760 mmHg |
| Flash Point: | 208.1 °C |
| Appearance: | COA |
| Hazard Symbols: |
 Xi
|
| PSA: | 38.33000 |
| LogP: | 5.27590 |
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Specification
1. Introduction of Benfluorex hydrochloride
Benfluorex hydrochloride is an organic compound. Benfluorex hydrochloride is one kind of white solid. The IUPAC name of this chemical is 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate hydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals.
2. Properties of Benfluorex hydrochloride
Physical properties about Benfluorex hydrochloride are:
(1)ACD/LogP: 4.80; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 29.54 Å2; (6)Flash Point: 208.1 °C; (7)Enthalpy of Vaporization: 67.43 kJ/mol; (8)Boiling Point: 420.5 °C at 760 mmHg; (9)Vapour Pressure: 2.81E-07 mmHg at 25°C.
3. Structure Descriptors of Benfluorex hydrochloride
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)CC(NCCOC(=O)c2ccccc2)C.Cl
(2)InChI: InChI=1/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H
(3)InChIKey: NLOALSPYZIIXEO-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H
(5)Std. InChIKey: NLOALSPYZIIXEO-UHFFFAOYSA-N
4. Safety information of Benfluorex hydrochloride
Hazard Codes: Xi
WGK Germany: 2
RTECS: KL8275000
Hazard Note: Irritant
5. Uses of Benfluorex hydrochloride
Benfluorex Hydrochloride (BANM) is also known as Benfluorex. Benfluorex hydrochloride is used as an antihyperlipoproteinemic therapeutic.