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Name |
Benzene,1-bromo-4-(pentyloxy)- |
EINECS | N/A |
CAS No. | 30752-18-2 | Density | 1.242 g/cm3 |
PSA | 9.23000 | LogP | 4.01810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H15BrO | Boiling Point | 281.4 °C at 760 mmHg |
Molecular Weight | 243.143 | Flash Point | 120.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R21; R36 | |
Molecular Structure | Hazard Symbols | Xn | |
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; |
Article Data | 22 |
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 %.
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