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172681-47-9

Basic Information
CAS No.: 172681-47-9
Name: 2-AMINO-6-IODOTOLUENE
Article Data: 4
Molecular Structure:
Molecular Structure of 172681-47-9 (2-AMINO-6-IODOTOLUENE)
Formula: C7H8IN
Molecular Weight: 233.052
Synonyms: 2-Amino-6-iodotoluene;3-Iodo-2-methylaniline;
Density: 1.791 g/cm3
Boiling Point: 288.1 °C at 760 mmHg
Flash Point: 128 °C
PSA: 26.02000
LogP: 2.76300
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    Product Name: 2-AMINO-6-IODOTOLUENE Synonyms: 3-IODO-2-METHYLANILIN;2-AMINO-6-IODOTOLUENE;2-AMINO-5-IODOTOLUENE (5-IODO-6-METHYL-1-BENZENEAMINE);2-AMINO-6-IODOTOLUENE3-IODO-2-METHYLANILIN;Benzenamine, 3-iodo-2-methyl- CAS: 172681-47-9 MF:

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Specification

The Benzenamine, 3-iodo-2-methyl- is an organic compound with the formula C7H8IN. The systematic name of this chemical is 3-Iodo-2-methylanilinato. With the CAS registry number 172681-47-9, it is also named as 2-Amino-6-iodotoluene. Besides, its molecular weight is 233.04959.

Physical properties about Benzenamine, 3-iodo-2-methyl- are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.2; (3)ACD/LogD (pH 7.4): 3.2; (4)ACD/BCF (pH 5.5): 158.51; (5)ACD/BCF (pH 7.4): 160.03; (6)ACD/KOC (pH 5.5): 1303.82; (7)ACD/KOC (pH 7.4): 1316.31; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 48.22 cm3; (14)Molar Volume: 130 cm3; (15)Polarizability: 19.11×10-24 cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.791 g/cm3; (18)Flash Point: 128 °C; (19)Enthalpy of Vaporization: 52.73 kJ/mol; (20)Boiling Point: 288.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00238 mmHg at 25 °C.

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