| Identification | More | [Name]
2-Chloro-5-fluoroaniline | [CAS]
452-83-5 | [Synonyms]
2-CHLORO-5-FLUOROANILINE
2-CHLORO-5-FLUORO-PHENYLAMINE
5-FLUORO-2-CHLOROANILINE
2-Chloro-5-fluoroaniline 97%
2-Chloro-5-fluoroaniline97%
2-Chloro-5-fluorobenzeneamine | [EINECS(EC#)]
226-696-8 | [Molecular Formula]
C6H5ClFN | [MDL Number]
MFCD00084852 | [Molecular Weight]
145.56 | [MOL File]
452-83-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
26°C | [Boiling point ]
211°C | [density ]
1.349±0.06 g/cm3(Predicted) | [Fp ]
211°C | [refractive index ]
1.5560 | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
clear liquid | [pka]
1?+-.0.10(Predicted) | [color ]
Colorless to Light yellow to Light orange | [Water Solubility ]
Insoluble in water. | [FreezingPoint ]
17.0 to 22.0 ℃ | [InChI]
InChI=1S/C6H5ClFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2 | [InChIKey]
VWUFOZAFKYOZJB-UHFFFAOYSA-N | [SMILES]
C1(N)=CC(F)=CC=C1Cl | [CAS DataBase Reference]
452-83-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 ]
UN2811 | [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214200 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellowish oily liquid or crystal | [Uses]
2-Chloro-5-fluoroaniline is used as a pharmaceutical intermediate. | [Synthesis]
The general procedure for the synthesis of 2-chloro-5-fluoroaniline from 2-chloro-5-fluoronitrobenzene was as follows: a mixture of 0.17 g (1 mmol) of 2-chloro-5-fluoronitrobenzene, 1.13 g (5 mmol) of tin(II) chloride dihydrate, and 10 mL of ethanol was stirred for 0.5 hours at 70 °C. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently poured into 30 mL of water, alkalized with 10% sodium carbonate solution and extracted with dichloromethane. The organic layer was dried over anhydrous sodium sulfate and evaporated to dryness to give 0.12 g (84.5% yield) of the target product 2-chloro-5-fluoroaniline. The structure of the product was confirmed by 1H-NMR (CDCl3, δ): 4.16 (single peak, 2H, NH2), 6.51-6.77 (multiple peaks, 2H, CH on the benzene ring), 7.09-7.21 (multiple peaks, 1H, CH on the benzene ring). | [References]
[1] Patent: EP1200406, 2004, B1. Location in patent: Page 14
[2] Green Chemistry, 2012, vol. 14, # 11, p. 3164 - 3174,11 |
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