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Phenol, 4-amino-2-iodo-

  • Name Phenol, 4-amino-2-iodo-
  • EINECSN/A
  • CAS No. 89640-51-7
  • Density2.094 g/cm3
  • PSA46.25000
  • LogP2.16020
  • SolubilityN/A
  • Melting Point110-120°C ((subl.)) (lit.)
  • FormulaC6H6INO
  • Boiling Point286.982 °C at 760 mmHg
  • Molecular Weight235.024
  • Flash Point127.362 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 89640-51-7 (3-IODO-4-HYDROXYANILINE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data4

Phenol, 4-amino-2-iodo- Specification

The Phenol, 4-amino-2-iodo-, with the CAS registry number 89640-51-7, is also known as 4-Hydroxy-3-iodoaniline. This chemical's molecular formula is C6H6INO and molecular weight is 235.02. What's more, its IUPAC name is 4-Amino-2-iodophenol. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Phenol, 4-amino-2-iodo- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)CD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 178; (8)ACD/KOC (pH 7.4): 182; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25Å2; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 45.277 cm3; (15)Molar Volume: 112.216 cm3; (16)Polarizability: 17.949×10-24cm3; (17)Surface Tension: 69.264 dyne/cm; (18)Density: 2.094 g/cm3; (19)Flash Point: 127.362 °C; (20)Enthalpy of Vaporization: 54.723 kJ/mol; (21)Boiling Point: 286.982 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(O)c(I)c1
(2)Std. InChI: InChI=1S/C6H6INO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
(3)Std. InChIKey: GUGSDWSSHLBVST-UHFFFAOYSA-N

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