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| CAS No.: | 2033-83-2 |
|---|---|
| Name: | 1-(4-BROMOBUTOXY)-4-METHOXY-BENZENE |
| Molecular Structure: | |
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| Formula: | C11H15BrO2 |
| Molecular Weight: | 259.143 |
| Synonyms: | 1-Methoxy-4-(4-bromobutoxy)benzene; |
| Density: | 1.294 g/cm3 |
| Boiling Point: | 335.7 °C at 760 mmHg |
| Flash Point: | 146.6 °C |
| Appearance: | low-melting solid |
| Hazard Symbols: |
 Xi
|
| PSA: | 18.46000 |
| LogP: | 3.24910 |
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Specification
The Benzene,1-(4-bromobutoxy)-4-methoxy-, with the CAS registry number 2033-83-2, is also known as 1-(4-Bromobutoxy)-4-methoxy-benzene. This chemical's molecular formula is C11H15BrO2 and molecular weight is 259.14. What's more, both its IUPAC name and systematic name are the same which is called 1-(4-Bromobutoxy)-4-methoxybenzene. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene,1-(4-bromobutoxy)-4-methoxy- are: (1) ACD/LogP: 3.69; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.69; (4) ACD/LogD (pH 7.4): 3.69; (5) ACD/BCF (pH 5.5): 373.56; (6) ACD/BCF (pH 7.4): 373.56; (7) ACD/KOC (pH 5.5): 2414.9; (8) ACD/KOC (pH 7.4): 2414.9; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 18.46 Å2; (13) Index of Refraction: 1.524; (14) Molar Refractivity: 61.24 cm3; (15) Molar Volume: 200.1 cm3; (16) Surface Tension: 36.5 dyne/cm; (17) Density: 1.294 g/cm3; (18)Flash Point: 146.6 °C; (19) Enthalpy of Vaporization: 55.58 kJ/mol; (20) Boiling Point: 335.7 °C at 760 mmHg; (21) Vapour Pressure: 0.000229 mmHg at 25 °C.
Preparation of Benzene,1-(4-bromobutoxy)-4-methoxy-: this chemical can be prepared by 4-Methoxy-phenol with 1,4-Dibromo-butane. This reaction needs reagent K2CO3 and solvent Acetone.
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Uses of Benzene,1-(4-bromobutoxy)-4-methoxy-: it is used to produce other chemicals. For example, it is used to produce 1-[4-(4-Methoxy-phenoxy)-butyl]-3,7-dimethyl-3,7-dihydro-purine-2,6-dione. The reaction occurs with reagent NaOH, solvent Ethanol, H2O and other condition of heating for 6 hours. The yield is 58 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCOc1ccc(OC)cc1
(2) InChI: InChI=1/C11H15BrO2/c1-13-10-4-6-11(7-5-10)14-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
(3) InChIKey: XNMUBVHIMDDDNF-UHFFFAOYAZ