| Identification | More | [Name]
4-Chloro-2-iodoaniline | [CAS]
63069-48-7 | [Synonyms]
2-IODO-4-CHLOROANILINE
4-CHLORO-2-IODOANILINE
4-CHLORO-2-IODOANILINE 98%
4-Chloro-2-iodobenzenamine | [EINECS(EC#)]
263-839-3 | [Molecular Formula]
C6H5ClIN | [MDL Number]
MFCD01863737 | [Molecular Weight]
253.47 | [MOL File]
63069-48-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale brown to purple low melting solid | [Melting point ]
40 °C | [Boiling point ]
295.0±25.0 °C(Predicted) | [density ]
2.015±0.06 g/cm3(Predicted) | [Fp ]
>110 °C | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
1.90±0.10(Predicted) | [color ]
White to off-white | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C6H5ClIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 | [InChIKey]
FLEJOBRWKBPUOX-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(Cl)C=C1I | [CAS DataBase Reference]
63069-48-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,N,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 .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R25:Toxic 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 .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2811 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214200 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale brown to purple low melting solid | [Synthesis]
General method: 4-Chloroaniline (20.0 mmol) was dissolved in a solvent mixture of H2O (100 mL) and MeOH (300 mL) and the pH was adjusted to 1-2 by adding concentrated HCl (tested using pH paper). Subsequently, NaICl2 aqueous solution (50% w/w, 1.1-4.8 molar equivalents, see table for exact dosage) was slowly added dropwise and the reaction mixture was stirred for 3-4 hours at room temperature. Upon completion of the reaction, the reaction was quenched by adding saturated NaHSO3 aqueous solution until the starch test was negative. If no significant precipitate was generated in the reaction mixture, the pH was adjusted to alkaline by dropwise addition of 1 M NaOH aqueous solution (tested using pH paper), followed by extraction with Et2O. The organic phases were combined, dried with MgSO4, filtered and concentrated under reduced pressure to give the solid product. If a precipitate was generated in the reaction mixture, the solid was first separated by gravity filtration, then the filtrate was adjusted to slightly basic (using 1 M NaOH aqueous solution) and extracted with Et2O. The organic extracts were combined, dried with MgSO4, filtered and concentrated under reduced pressure to give the solid product. All solid products were analyzed by TLC (silica gel plates, different ratios of hexane/ethyl acetate as unfolding agent). If the products were mixtures, they were separated and purified by fast column chromatography (silica gel, hexane/ethyl acetate = 9:1, unless otherwise stated). The final products were characterized by melting point (compared to literature values), IR, MS, 1H-NMR, 13C-NMR spectra and elemental analysis (for new compounds). It should be noted that the reaction products of anilines 1a-1j are mostly known compounds, while theanisidines failed to yield characterizable products. | [References]
[1] Organic Preparations and Procedures International, 2016, vol. 48, # 5, p. 385 - 392
[2] Synlett, 2014, vol. 25, # 6, p. 831 - 834 |
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