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CAS No.: | 52721-69-4 |
---|---|
Name: | 2-FLUOROPHENETHYLAMINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H10FN |
Molecular Weight: | 139.173 |
Synonyms: | 2-(2-Fluorophenyl)ethanamine;2-(2-Fluorophenyl)ethylamine;2-Fluorobenzeneethanamine;2-Fluorophenethylamine;o-Fluorophenethylamine;o-Fluorophenylethylamine; |
Density: | 1.069 g/cm3 |
Boiling Point: | 242.8 °C at 760 mmHg |
Flash Point: | 77.2 °C |
Appearance: | clear pale yellow to slightly pink liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 2735 |
PSA: | 26.02000 |
LogP: | 2.02720 |
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The Benzeneethanamine,2-fluoro-, with the CAS registry number 52721-69-4, is also known as 2-Fluorophenethylamine. Its molecular formula is C8H10FN and its systematic name is 2-(2-fluorophenyl)ethanamine. Moreover, this chemical is clear pale yellow to slightly pink liquid. What's more, its product categories are Amines and Anilines; Amines; C8; Nitrogen Compounds.
Other characteristics of the Benzeneethanamine,2-fluoro- can be summarised as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.46; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 39.33 cm3; (15)Molar Volume: 130.1 cm3; (16)Polarizability: 15.59×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.069 g/cm3; (19)Flash Point: 77.2 °C; (20)Enthalpy of Vaporization: 47.98 kJ/mol; (21)Boiling Point: 242.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0333 mmHg at 25°C.
Uses of the Benzeneethanamine,2-fluoro-: It could react with chloroacetyl chloride to obtain the 2-chloro-N-[2-(2-fluoro-phenyl)-ethyl]-acetamide. This reaction needs the reagent of 50percent aq. K2CO3, and the solvent of CH2Cl2. The yield is 100 %. In addition, this reaction should be taken at ambient temperature.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccccc1CCN
2.InChI: InChI=1/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
3.InChIKey: RIKUOLJPJNVTEP-UHFFFAOYAU