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2-Iodo-4-methylaniline

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Name

2-Iodo-4-methylaniline

EINECS N/A
CAS No. 29289-13-2 Density 1.791g/cm3
PSA 26.02000 LogP 2.76300
Solubility N/A Melting Point 34-37°C
Formula C7H8IN Boiling Point 268.7 °C at 760 mmHg
Molecular Weight 233.052 Flash Point 116.3 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 29289-13-2 (2-IODO-4-METHYLANILINE) Hazard Symbols T,Xi
Synonyms

p-Toluidine, 2-iodo- (8CI);2-Amino-5-methylphenyl iodide;2-Iodo-4-methylaniline;2-Iodo-4-methylbenzenamine;4-Amino-3-iodotoluene;

Article Data 73

2-Iodo-4-methylaniline Specification

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

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