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105812-81-5

Basic Information
CAS No.: 105812-81-5
Name: (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
Article Data: 5
Molecular Structure:
Molecular Structure of 105812-81-5 ((3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine)
Formula: C13H18FNO
Molecular Weight: 223.29
Synonyms: (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine;Paroxol;[(3S,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol;trans-(4R,3S)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine;(-)trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl piperidine ( Paroxetine );3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, (3S-trans)-;(-)-trans-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine;(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine;
EINECS: 406-030-4
Density: 1.092 g/cm3
Melting Point: 97-101 ºC
Boiling Point: 300.3 ºC at 760 mmHg
Flash Point: 135.4 ºC
Appearance: white to light yellow crystal powder
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 51/53-41-22
Safety: 61-26-22-37/39-24
Transport Information: UN 3077
PSA: 23.47000
LogP: 1.79120
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  • 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, (3S,4R)-

  • Casno:

    105812-81-5

    3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, (3S,4R)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Located in Hangzhou National Hi-Tech Industrial Development Zone, zhongqichem is a technical company mainly focus on the Custom synthesis, manufacturing, sales of chemicals to various industries. Benefiting from the outstanding customer service and h

    Located in Hangzhou National Hi-Tech Industrial Development Zone, Hangzhou zhongqi chem co.,Ltd is an ISO 9001:2015 & SGS certified molden chemical company,who is mainly focus on t

  •  Hangzhou Zhongqi chem Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:0086-571-86976032

    Address:Kangkang Gu 1010, Chun xiao road 61,Binjiang District 310052,Hangzhou city , China

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  • (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

  • Casno:

    105812-81-5

    (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.5-1.5

    1.Applied in food field.it can improve the immune system and prolong life. 2.Appliedin cosmetic field.it can improve the skin care. 3.Applied in pharmaceutical field.it can treat various dieases. 4.Our product quality assurance will make our customer

    KAISA GROUP INC.is the enterprise which is specialize in manfacturing and exporting avariety of Chemical in China. We have the strong economic base and comprehensive technology.We

  •  KAISA GROUP INC

    United States  |  Contact Details

    Business Type:Trading Company

    Tel:15131197030

    Address:1312 17th Street Suite 1402 Denver CO 80202

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  • (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

  • Casno:

    105812-81-5

    (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    GOLDEN PHARMA CO.,LIMITED.is a professional pharmaceutical company,our team have more than 20years expereince in pharmaceutical production and sales. we are a professional technical enterprise specializing in the R & D, production,QA regulation

    GOLDEN PHARMA CO.,LIMITED.is a professional pharmaceutical company,our team have more than 20years expereince in pharmaceutical production. Currently our major business is: 1.Con

  •  Golden Pharma Co., Limited

    China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:18958062155

    Address:1

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Specification

The CAS registry number of 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-,(3S,4R)- is 105812-81-5. The IUPAC name is [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol. In addition, the molecular formula is C13H18FNO and the molecular weight is 223.29. What's more, it is a kind of white to light yellow crystal powder and belongs to the classes of Intermediate of Paroxetine; Chiral Reagents; Pharmaceuticals. Besides, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, (3S,4R)- are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): -1.33; (3)ACD/LogD (pH 7.4): -0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.51; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 61.99 cm3; (14)Molar Volume: 204.4 cm3; (15)Polarizability: 24.57 ×10-24cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.092 g/cm3; (18)Flash Point: 135.4 °C; (19)Enthalpy of Vaporization: 57.06 kJ/mol; (20)Boiling Point: 300.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000504 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and has risk of serious damage to eyes. In addition, it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear gloves and eye/face protection and avoid contact with skin. You should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should avoid release to the environment and you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)[C@@H]2CCN(C)C[C@H]2CO
(2)InChI: InChI=1/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
(3)InChIKey: CXRHUYYZISIIMT-AAEUAGOBBE