The CAS register number of 4-iodo-1,2-phenylenediamine is 21304-38-1. It also can be called as 2-Amino-4-iodophenylamine and the systematic name about this chemical is 4-iodobenzene-1,2-diamine. The molecular formula about this chemical is C6H7IN2 and the molecular weight is 234.03765.
Physical properties about 4-iodo-1,2-phenylenediamine are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 28.76; (5)ACD/BCF (pH 7.4): 29.11; (6)ACD/KOC (pH 5.5): 384; (7)ACD/KOC (pH 7.4): 388.66; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.757; (13)Molar Refractivity: 47.63 cm3; (14)Molar Volume: 116 cm3; (15)Polarizability: 18.88x10-24cm3; (16)Surface Tension: 69 dyne/cm; (17)Density: 2.016 g/cm3; (18)Flash Point: 158.8 °C; (19)Enthalpy of Vaporization: 58.24 kJ/mol; (20)Boiling Point: 339 °C at 760 mmHg; (21)Vapour Pressure: 9.46E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(N)c(N)cc1
(2)InChI: InChI=1/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
(3)InChIKey: FUOSRKZBOIVBOS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
(5)Std. InChIKey: FUOSRKZBOIVBOS-UHFFFAOYSA-N
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