5-IODO-2-METHYLANILINE

The Benzenamine,5-iodo-2-methyl-, with CAS registry number 83863-33-6, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Anilines, Aromatic Amines and Nitro Compounds; (3)Amines; (4)C7; (5)Nitrogen Compounds. It has the systematic name of 5-iodo-2-methylaniline. What's more, its EINECS is 281-094-2.

Physical properties of Benzenamine,5-iodo-2-methyl-: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.51; (6)ACD/BCF (pH 7.4): 160.03; (7)ACD/KOC (pH 5.5): 1303.82; (8)ACD/KOC (pH 7.4): 1316.31; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 48.22 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 19.11×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Enthalpy of Vaporization: 52.5 kJ/mol; (19)Vapour Pressure: 0.00272 mmHg at 25°C.

Uses of Benzenamine,5-iodo-2-methyl-: it can be used to produce 1-(5-iodo-2-methylphenyl)-2,5-dimethyl-1H-pyrrole. This reaction will need reagent TsOH^.H₂O and solvent toluene. The reaction time is 1 hour(s) with reaction temperature of 110 ℃. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,5-iodo-2-methyl- irritates to eyes, respiratory system and skin. This chemical is toxic if swallowed and has risk of serious damage to the eyes. It also may cause sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(N)c(cc1)C
(2)InChI: InChI=1/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
(3)InChIKey: IOEHXNCBPIBDBZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
(5)Std. InChIKey: IOEHXNCBPIBDBZ-UHFFFAOYSA-N