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| CAS No.: | 30752-18-2 |
|---|---|
| Name: | 4-(N-PENTYLOXY)BROMOBENZENE |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C11H15BrO |
| Molecular Weight: | 243.143 |
| Synonyms: | Ether,p-bromophenyl pentyl (8CI);1-Bromo-4-(pentyloxy)benzene;1-Bromo-4-n-pentyloxybenzene;4-(n-Pentyloxy)bromobenzene;4-Bromophenyl pentylether;p-Pentoxybromobenzene; |
| Density: | 1.242 g/cm3 |
| Boiling Point: | 281.4 °C at 760 mmHg |
| Flash Point: | 120.5 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R21; R36 |
| PSA: | 9.23000 |
| LogP: | 4.01810 |
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Specification
The Benzene, 1-bromo-4-(pentyloxy)-, with the CAS registry number 30752-18-2, is also known as 4-Bromophenyl pentyl ether. This chemical's molecular formula is C11H15BrO and molecular weight is 243.14. What's more, its IUPAC name is 1-Bromo-4-pentoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. Besides, you should ensure the work place is well-ventilated.
Physical properties about Benzene, 1-bromo-4-(pentyloxy)- are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6179.93; (6)ACD/BCF (pH 7.4): 6179.93; (7)ACD/KOC (pH 5.5): 17996.06; (8)ACD/KOC (pH 7.4): 17996.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 59.15 cm3; (15)Molar Volume: 195.6 cm3; (16)Polarizability: 23.45×10-24 cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 120.5 °C; (20)Enthalpy of Vaporization: 49.93 kJ/mol; (21)Boiling Point: 281.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00609 mmHg at 25 °C.
Preparation of Benzene, 1-bromo-4-(pentyloxy)-: this chemical is prepared by Pentyl-phenyl ether. This reaction needs reagents NaClO2, NaBr, Mn(acac)3, moist Kaolin. Meanwhile, it needs solvent CH2Cl2. The reaction time is 130 minutes with reaction temperature of 25 °C. The yield is about 97 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(OCCCCC)cc1
(2) InChI: InChI=1/C11H15BrO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3
(3) InChIKey: ILLQRHZDICIFRQ-UHFFFAOYAR