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89938-16-9

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Basic Information
CAS No.: 89938-16-9
Name: 2-iodo-3-methylaniline
Article Data: 4
Molecular Structure:
Molecular Structure of 89938-16-9 (2-iodo-3-methylaniline)
Formula: C7H8IN
Molecular Weight: 233.052
Synonyms: m-Toluidine, 2-iodo- (7CI);2-Iodo-3-methylaniline;
Density: 1.791g/cm3
Melting Point: 41-42 °C
Boiling Point: 268.6 °C at 760 mmHg
Flash Point: 116.2 °C
PSA: 26.02000
LogP: 2.76300
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Specification

The Benzenamine, 2-iodo-3-methyl-, with CAS registry number 89938-16-9, belongs to the following product categories: (1)Anilines, Amides & Amines; (2)Iodine Compounds. It has the systematic name of 2-iodo-3-methylaniline. And the chemical formula of this chemical is C7H8IN.

Physical properties of Benzenamine, 2-iodo-3-methyl-: (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): 73.14; (6)ACD/BCF (pH 7.4): 73.24; (7)ACD/KOC (pH 5.5): 751.27; (8)ACD/KOC (pH 7.4): 752.34; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 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: 116.2 °C; (20)Enthalpy of Vaporization: 50.67 kJ/mol; (21)Boiling Point: 268.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00762 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(N)c1I
(2)InChI: InChI=1/C7H8IN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
(3)InChIKey: GVVUQVPDBMPZKL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H8IN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
(5)Std. InChIKey: GVVUQVPDBMPZKL-UHFFFAOYSA-N