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CAS No.: | 13194-69-9 |
---|---|
Name: | 2-IODO-5-METHYLANILINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H8IN |
Molecular Weight: | 233.052 |
Synonyms: | m-Toluidine,6-iodo- (7CI,8CI); |
Density: | 1.791 g/cm3 |
Melting Point: | 37-39 °C |
Boiling Point: | 266.5 °C at 760 mmHg |
Flash Point: | 115 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 26.02000 |
LogP: | 2.76300 |
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The 3-Iodo-5-methylaniline, with the CAS registry number 13194-69-9, is also known as Benzenamine, 2-iodo-5-methyl-. This chemical's molecular formula is C7H8IN and molecular weight is 233.0496. Its systematic name is called 2-iodo-5-methylaniline. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 3-Iodo-5-methylaniline: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.14; (5)ACD/BCF (pH 7.4): 73.24; (6)ACD/KOC (pH 5.5): 751.27; (7)ACD/KOC (pH 7.4): 752.34; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 48.22 cm3; (13)Molar Volume: 130 cm3; (14)Surface Tension: 50.2 dyne/cm; (15)Density: 1.791 g/cm3; (16)Flash Point: 115 °C; (17)Enthalpy of Vaporization: 50.45 kJ/mol; (18)Boiling Point: 266.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0086 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1N)C
(2)InChI: InChI=1/C7H8IN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
(3)InChIKey: KXPBTNCFONSVIA-UHFFFAOYAL