| Identification | More | [Name]
2-IODO-4-METHYLANILINE | [CAS]
29289-13-2 | [Synonyms]
2-IODO-4-METHYLANILINE
BUTTPARK 34\09-13
4-Amino-2-iodotoluene~3-Iodo-p-toluidine
4-Amino-3-iodotoluene
2-Iodo-4-methylbenzenamine | [Molecular Formula]
C7H8IN | [MDL Number]
MFCD03407391 | [Molecular Weight]
233.05 | [MOL File]
29289-13-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
34-37°C | [Boiling point ]
273°C (rough estimate) | [density ]
1.7004 (estimate) | [Fp ]
>110°C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
crystalline powder | [pka]
2.97±0.10(Predicted) | [color ]
cream | [InChI]
1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 | [InChIKey]
AJTUKWIQLKKRHE-UHFFFAOYSA-N | [SMILES]
NC1=C(I)C=C(C)C=C1 | [CAS DataBase Reference]
29289-13-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
2811 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29214300 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Milky white solid | [Synthesis Reference(s)]
Tetrahedron Letters, 30, p. 899, 1989 DOI: 10.1016/S0040-4039(00)95273-0 | [Synthesis]
Step 1: Preparation of 2-iodo-4-methylaniline
To a solution of 4-methylaniline (53.5 g, 500 mmol) in dichloromethane (DCM, 200 mL) was added a solution of sodium bicarbonate (NaHCO3, 50.4 g) in water (500 mL) at room temperature, followed by iodine (I2, 127 g). The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the mixture was treated with aqueous sodium bisulfite (NaHSO3) and extracted with dichloromethane (DCM). The organic layers were combined, washed with brine, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give the brown oily product 2-iodo-4-methylaniline (110 g, 95% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 7.48 (dd, J = 1.8 and 0.6 Hz, 1H), 6.96 (dd, J = 8.1 and 1.8 Hz, 1H), 6.67 (d, J = 8.1 Hz, 1H), 3.98 (broad peak, 2H), 2.22 (s, 3H) ppm. | [References]
[1] Journal of Organic Chemistry, 1996, vol. 61, # 17, p. 5804 - 5812
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 15, p. 2640 - 2652
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 8, p. 897 - 904
[4] Bioorganic and Medicinal Chemistry Letters, 1999, vol. 9, # 19, p. 2805 - 2810
[5] Journal of Heterocyclic Chemistry, 2013, vol. 50, # 5, p. 1031 - 1038 |
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