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| CAS No.: | 403-42-9 |
|---|---|
| Name: | 4-Fluoroacetophenone |
| Article Data: | 403 |
| Molecular Structure: | |
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| Formula: | C8H7FO |
| Molecular Weight: | 138.141 |
| Synonyms: | Acetophenone,4'-fluoro- (6CI,7CI,8CI);1-(4-Fluorophenyl)ethan-1-one;1-(4-Fluorophenyl)ethanone;1-Acetyl-4-fluorobenzene;4-Acetylfluorobenzene;4-Acetylphenyl fluoride;4-Fluorophenyl methyl ketone;4-Fluorophenylethanal;Methyl 4-fluorophenyl ketone;NSC 30635;p-Fluoroacetophenone;p-Fluorohypnone;p-Fluorophenyl methyl ketone;4-Fluoroacetophenone; |
| EINECS: | 206-960-9 |
| Density: | 1.103 g/cm3 |
| Melting Point: | 4 °C |
| Boiling Point: | 196.7 °C at 760 mmHg |
| Flash Point: | 73.6 °C |
| Appearance: | Clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-23 |
| PSA: | 17.07000 |
| LogP: | 2.02830 |
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Specification
The 4-Fluoroacetophenone, with the CAS registry number 403-42-9, has the IUPAC name of 1-(4-fluorophenyl)ethanone. For being a kind of clear colorless to slightly yellow liquid, this chemical is usually applied as the organic intermediate, such as for producing pesticide Epoxiconazole TC. Besides, its product categories are including Aromatic Acetophenones & Derivatives (substituted); Organics; ketone; Fluorobenzene; Benzenes; Adehydes, Acetals & Ketones; Fluorine Compounds; C7 to C8; Carbonyl Compounds; Ketones; Aceto.
The characteristics of this chemical are as follows: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07; (9)Index of Refraction: 1.491; (10)Molar Refractivity: 36.27 cm3; (11)Molar Volume: 125.1 cm3; (12)Polarizability: 14.38×10-24 cm3; (13)Surface Tension: 32.8 dyne/cm; (14)Density: 1.103 g/cm3; (15)Flash Point: 73.6 °C; (16)Enthalpy of Vaporization: 43.29 kJ/mol; (17)Boiling Point: 196.7 °C at 760 mmHg; (18)Vapour Pressure: 0.393 mmHg at 25°C; (19)Exact Mass: 138.048093; (20)MonoIsotopic Mass: 138.048093; (21)Topological Polar Surface Area: 17.1; (22)Heavy Atom Count: 10; (23)Complexity: 125.
The production method of this chemical is below: 1-(4-fluoro-phenyl)-ethanol could react to produce 4-Fluoroacetophenone. This reaction could happen in the presence of the reagent of CrO3, acetic acid and water.
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Use of this chemical: 4-Fluoroacetophenone could react to produce 1-(4-fluoro-phenyl)-ethanol. This reaction could happen in the presence of the reagent of NaBH4.
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When you are dealing with this chemical, you should be very cautious. For being a kind of chemical irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, remember not to breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC=C(C=C1)F
(2)InChI: InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
(3)InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N