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| CAS No.: | 57988-58-6 |
|---|---|
| Name: | 4-(4'-BROMOPHENYL)-4-HYDROXYPIPERIDINE |
| Molecular Structure: | |
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| Formula: | C11H14BrNO |
| Molecular Weight: | 256.142 |
| Synonyms: | 4-(4-Bromophenyl)-4-hydroxypiperidine;4-(4-Bromophenyl)-4-piperidinol;4-(4'-Bromophenyl)-4-hydroxypiperidine;4-(p-Bromophenyl)-4-hydroxypiperidine;4-Hydroxy-4-(4-bromophenyl)piperidine; |
| EINECS: | 261-065-0 |
| Density: | 1.436 g/cm3 |
| Melting Point: | 167-170 °C(lit.) |
| Boiling Point: | 361.027 °C at 760 mmHg |
| Flash Point: | 172.143 °C |
| Appearance: | white to light yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 32.26000 |
| LogP: | 2.34890 |
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Specification
The CAS register number of 4-Piperidinol,4-(4-bromophenyl)- is 57988-58-6. It also can be called as 4-(4-Bromophenyl)-4-hydroxypiperidine and the IUPAC name about this chemical is 4-(4-bromophenyl)piperidin-4-ol. The molecular formula about this chemical is C11H14BrNO and the molecular weight is 256.14. It belongs to the following product categories which include Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperidines; PiperidinesHeterocyclic Building Blocks and so on.
Physical properties about 4-Piperidinol,4-(4-bromophenyl)- are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 7.4): 0.029; (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): 2.613; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 60.037 cm3; (13)Molar Volume: 178.274 cm3; (14)Polarizability: 23.8x10-24cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Enthalpy of Vaporization: 64.026 kJ/mol; (17)Boiling Point: 361.027 °C at 760 mmHg.
Uses of 4-Piperidinol,4-(4-bromophenyl)-: it can be used to produce 4-(4-Brom-phenyl)-1,2,3,6-tetrahydro-pyridin at temperature of 20 ℃. This reaction will need reagent TFA with reaction time of 5 hours. The yield is about 67%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C2(CCNCC2)O)Br
(2)InChI: InChI=1/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
(3)InChIKey: QNLXJYQUWCNYBH-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
(5)Std. InChIKey: QNLXJYQUWCNYBH-UHFFFAOYSA-N