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| CAS No.: | 80980-89-8 |
|---|---|
| Name: | 4-(4'-Bromophenyl)piperidine |
| Molecular Structure: | |
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| Formula: | C11H14BrN |
| Molecular Weight: | 240.143 |
| Synonyms: | 4-(4-Bromophenyl)piperidine; |
| Density: | 1.313 g/cm3 |
| Melting Point: | 144-146 °C |
| Boiling Point: | 307.6 °C at 760 mmHg |
| Flash Point: | 139.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.03000 |
| LogP: | 3.24490 |
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Specification
The 4-(4'-Bromophenyl)piperidine is an organic compound with the formula C11H14BrN. The IUPAC name of this chemical is 4-(4-bromophenyl)piperidine. With the CAS registry number 80980-89-8, it is also named as Piperidine, 4-(4-bromophenyl)-. In addition, the molecular weight is 240.14.
The other characteristics of 4-(4'-Bromophenyl)piperidine can be summarized as: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.53; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 58.54 cm3; (15)Molar Volume: 182.8 cm3; (16)Polarizability: 23.2×10-24 cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 139.9 °C; (20)Enthalpy of Vaporization: 54.83 kJ/mol; (21)Boiling Point: 307.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000715 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)C2CCNCC2
2. InChI:InChI=1/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
3. InChIKey:ZKABWLFDCJKQRE-UHFFFAOYAE
4. Std. InChI:InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
5. Std. InChIKey:ZKABWLFDCJKQRE-UHFFFAOYSA-N