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| CAS No.: | 58743-81-0 |
|---|---|
| Name: | 4-BROMO-4'-PROPYLBIPHENYL |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C15H15Br |
| Molecular Weight: | 275.188 |
| Synonyms: | 4-Bromo-4'-propylbiphenyl;4'-Bromo-4-propylbiphenyl; |
| Density: | 1.249 g/cm3 |
| Melting Point: | 107-109 °C |
| Boiling Point: | 349.5 °C at 760 mmHg |
| Flash Point: | 161.8oC |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 5.06860 |
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Specification
The systematic name of this chemical is 4-bromo-4'-propylbiphenyl. With the CAS registry number 58743-81-0, it is also named as 1,1'-biphenyl, 4-bromo-4'-propyl-. The product's categories are Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 43253.82; (6)ACD/BCF (pH 7.4): 43253.82; (7)ACD/KOC (pH 5.5): 72451.81; (8)ACD/KOC (pH 7.4): 72451.81; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 72.71 cm3; (14)Molar Volume: 220.2 cm3; (15)Polarizability: 28.82×10-24 cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Flash Point: 161.8 °C; (18)Enthalpy of Vaporization: 57.06 kJ/mol; (19)Boiling Point: 349.5 °C at 760 mmHg; (20)Vapour Pressure: 9.42E-05 mmHg at 25°C.
Preparation of 4-Bromo-4'-propylbiphenyl: It can be obtained by 1-iodo-propane and 4,4'-dibromo-biphenyl. This reaction needs reagent n-BuLi. The yield is 94%.
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Uses of 4-Bromo-4'-propylbiphenyl: It is raw material in the production of liquid crystal monomer. It also can produce 4'-propyl(1,1'-biphenyl)-4-carbonitrile. This reaction needs reagent PhPdI(PPh3)2 and solvent dimethylformamide by heating. The reaction time is 2 hours. The yield is 86%.
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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:Brc2ccc(c1ccc(cc1)CCC)cc2
2. InChI:InChI=1/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3