| Identification | More | [Name]
1-ACETOXY-3-FLUOROBENZENE | [CAS]
701-83-7 | [Synonyms]
1-ACETOXY-3-FLUOROBENZENE
3-FLUOROPHENYL ACETATE
1-Acetoxy-3-fluorobenzene 98%
1-Acetoxy-3-fluorobenzene98%
1-Fluoro-3-acetoxybenzene
Acetic acid 3-fluorophenyl ester | [Molecular Formula]
C8H7FO2 | [MDL Number]
MFCD00142578 | [Molecular Weight]
154.14 | [MOL File]
701-83-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colourlesstolightyellowliqui | [Boiling point ]
77-78 °C13 mm Hg(lit.) | [density ]
1.147 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4800(lit.)
| [Fp ]
168 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [BRN ]
2555261 | [InChI]
1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3 | [InChIKey]
IAWZWMGUTKRLQB-UHFFFAOYSA-N | [SMILES]
CC(=O)Oc1cccc(F)c1 | [CAS DataBase Reference]
701-83-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
2810 | [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29153900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
colourlesstolightyellowliqui | [Synthesis]
3-Fluorophenol (10 g, 89 mmol) was dissolved in acetic anhydride (90 mmol). Concentrated sulfuric acid (3 drops) was added as a catalyst and the reaction mixture was heated to 120°C. After completion of the reaction, the mixture was slowly poured into ice water (100 ml) containing NaHCO3 (1 g) to neutralize the acid. Subsequently, the organic phase was separated by extraction with ethyl acetate. The organic phase was washed sequentially with saturated NaHCO3 solution to remove residual acid and dried with anhydrous Na2SO4. Finally, the solvent was removed by distillation under reduced pressure to give 3-fluorophenol acetate (10.5 g), and the product was used directly in the subsequent reaction. | [References]
[1] Chemistry - A European Journal, 2015, vol. 21, # 5, p. 2241 - 2249
[2] Journal of Medicinal Chemistry, 1987, vol. 30, # 5, p. 814 - 820
[3] Journal of Medicinal Chemistry, 2018, vol. 61, # 7, p. 3037 - 3058
[4] Patent: CN105085427, 2018, B. Location in patent: Paragraph 0331; 0333; 0335; 0336 |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Cool Pharm, Ltd
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021-60455363 18019463053 |
| Website: |
www.coolpharm.com |
| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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