Products Categories
CAS No.: | 29289-13-2 |
---|---|
Name: | 2-IODO-4-METHYLANILINE |
Article Data: | 73 |
Molecular Structure: | |
Formula: | C7H8IN |
Molecular Weight: | 233.052 |
Synonyms: | p-Toluidine, 2-iodo- (8CI);2-Amino-5-methylphenyl iodide;2-Iodo-4-methylaniline;2-Iodo-4-methylbenzenamine;4-Amino-3-iodotoluene; |
Density: | 1.791g/cm3 |
Melting Point: | 34-37°C |
Boiling Point: | 268.7 °C at 760 mmHg |
Flash Point: | 116.3 °C |
Hazard Symbols: | T,Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 26.02000 |
LogP: | 2.76300 |
What can I do for you?
Get Best Price
The Benzenamine, 2-iodo-4-methyl-, with the CAS registry number 29289-13-2, has the systematic name of 2-iodo-4-methylaniline. It belongs to the following product categories: Anilines, Aromatic Amines and Nitro Compounds; Anilines, Amides & Amines; Iodine Compounds. And the molecular formula of the chemical is C7H8IN.
The characteristics of Benzenamine, 2-iodo-4-methyl- are as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.03; (6)ACD/BCF (pH 7.4): 73.24; (7)ACD/KOC (pH 5.5): 750.15; (8)ACD/KOC (pH 7.4): 752.33; (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)Density: 1.791 g/cm3; (19)Flash Point: 116.3 °C; (20)Enthalpy of Vaporization: 50.68 kJ/mol; (21)Boiling Point: 268.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00759 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1cc(ccc1N)C
(2)InChI: InChI=1/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
(3)InChIKey: AJTUKWIQLKKRHE-UHFFFAOYAO