| Identification | More | [Name]
4-Bromophenetole | [CAS]
588-96-5 | [Synonyms]
1-BROMO-4-ETHOXYBENZENE
1-BROMO-4-ETHYLOXYBENZENE
4-BROMO PHENETOL
4-BROMOPHENETOLE
4-BROMOPHENYL ETHYL ETHER
4-ETHOXYBROMOBENZENE
P-BROMOPHENETOLE
1-bromo-4-ethoxy-benzen
Benzene,1-bromo-4-ethoxy-
p-Bromoethoxybenzene
p-Bromophenol ethyl ether
p-Ethoxybromobenzene
p-Ethoxyphenyl bromide
Phenetole, p-bromo-
4-Bromoethoxybenzene
4-Bromophenetole,98%
4-Bromophenol, ethyl ether
1-Ethoxy-4-bromobenzene
Ethyl(4-bromophenyl) ether | [EINECS(EC#)]
209-629-7 | [Molecular Formula]
C8H9BrO | [MDL Number]
MFCD00000098 | [Molecular Weight]
201.06 | [MOL File]
588-96-5.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO YELLOWISH LIQUID | [Melting point ]
4 °C (lit.) | [Boiling point ]
233 °C (lit.) | [density ]
1.407 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.551(lit.)
| [Fp ]
218 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Liquid | [color ]
Clear colorless to yellow | [Specific Gravity]
1.436 | [Merck ]
14,1428 | [BRN ]
2042066 | [InChI]
1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3 | [InChIKey]
WVUYYXUATWMVIT-UHFFFAOYSA-N | [SMILES]
CCOc1ccc(Br)cc1 | [CAS DataBase Reference]
588-96-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-bromo-4-ethoxy-(588-96-5) | [EPA Substance Registry System]
588-96-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29093090 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO YELLOWISH LIQUID | [Uses]
4-Bromophenetole is a non-irritant used to verify ocular irritability tests. | [Synthesis]
Step 1: Synthesis of 1-bromo-4-ethoxybenzene: Potassium carbonate (118 g) was added to a solution of 4-bromophenol (50 g) in acetone (250 mL) at room temperature and stirred for 30 min. Subsequently, iodoethane (67.6 g) was added slowly and dropwise. The reaction mixture was heated to reflux for 10 hours and the progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the mixture was filtered and acetone was removed using a rotary evaporator. The residue was dissolved in ethyl acetate, washed sequentially with water and saturated brine, dried over anhydrous sodium sulfate and concentrated. Purification by silica gel column chromatography with ethyl acetate and hexane (1:7) as eluents afforded 4-bromophenetole as a colorless liquid (57 g, 98.27% yield).1H NMR (CDCl3, 300 MHz): δ 7.35 (d, J = 8.7 Hz, 2H), 6.76 (d, J = 8.7 Hz, 2H), 3.99 (q, J = 6.9 Hz, 2H), 1.40 (t, J = 6.9 Hz, 3H). | [References]
[1] Patent: WO2012/25857, 2012, A1. Location in patent: Page/Page column 57-58
[2] Patent: US2010/331307, 2010, A1. Location in patent: Page/Page column 18
[3] Journal of the Korean Chemical Society, 2012, vol. 56, # 6, p. 706 - 711
[4] Journal of the American Chemical Society, 1931, vol. 53, p. 1408,1409
[5] Molecular Crystals and Liquid Crystals, 2004, vol. 411, p. 93/[1135]-102/[1144] |
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