| Identification | More | [Name]
3-Fluorophenethylamine | [CAS]
404-70-6 | [Synonyms]
2-(3-FLUOROPHENYL)ETHYLAMINE
3-FLUOROPHENETHYLAMINE
RARECHEM AL BW 0208
3-Fluorophenethylamine ,99% | [Molecular Formula]
C8H10FN | [MDL Number]
MFCD00075376 | [Molecular Weight]
139.17 | [MOL File]
404-70-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to pale yellow liquid | [Boiling point ]
87 °C/15 mmHg (lit.) | [density ]
1.066 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.509(lit.)
| [Fp ]
181 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Liquid | [pka]
9.65±0.10(Predicted) | [color ]
Clear colorless to pale yellow | [Specific Gravity]
1.066 | [Sensitive ]
Air Sensitive | [Detection Methods]
GC | [InChI]
1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2 | [InChIKey]
AUCVZEYHEFAWHO-UHFFFAOYSA-N | [SMILES]
NCCc1cccc(F)c1 | [CAS DataBase Reference]
404-70-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H227-H318-H314 | [Precautionary statements ]
P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2735 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29214990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to pale yellow liquid | [Uses]
3-Fluorophenethylamine may be used in the synthesis of:
- N-(3-florophenyl)ethylcaffeamide and its anti-inflammatory activity was evaluated
- N-{2-[(3-fluorophenyl)ethyl]}-2-methylpropanamide
- N-(3′-fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol
| [Synthesis]
General procedure for the synthesis of 2-(3-fluorophenyl)ethylamine from m-fluorophenylacetonitrile: The standard procedure for the reduction of nitrile using KBH4 and CuCl2 is as follows: to a 10 mL round-bottomed flask were added m-fluorophenylacetonitrile (0.15 g, 1 mmol), KBH4 (0.17 g, 3 mmol), CuCl2 (0.03 g, 0.25 mmol), and an 80% isopropanol solution (prepared from 1.6 mL isopropanol and 0.4 mL water). The reaction mixture was stirred at 60 °C and the progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio of dichloromethane: methanol = 10:1) to confirm that the reaction was completed within 8 hours. Upon completion of the reaction, the mixture was cooled to 25 °C and the solvent was subsequently removed by rotary evaporator. Ethyl acetate (5 mL) was added to the residue for dissolution and washed sequentially with water (1 mL) and saturated saline (1 mL). The organic layer was dried over anhydrous Na2SO4, filtered and concentrated in vacuum to give the crude product 2-(3-fluorophenyl)ethylamine. | [References]
[1] Asian Journal of Chemistry, 2015, vol. 27, # 10, p. 3564 - 3566
[2] Patent: WO2011/11522, 2011, A2. Location in patent: Page/Page column 58
[3] Patent: WO2012/79079, 2012, A1. Location in patent: Page/Page column 63-64
[4] Advanced Synthesis and Catalysis, 2012, vol. 354, # 16, p. 2997 - 3008
[5] Journal of Medicinal Chemistry, 1986, vol. 29, # 7, p. 1302 - 1305 |
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Alfa Aesar
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Energy Chemical
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