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2-Amino-5-iodobenzotrifluoride

  • Name 2-Amino-5-iodobenzotrifluoride
  • EINECSN/A
  • CAS No. 97760-97-9
  • Density1.948 g/cm3
  • PSA26.02000
  • LogP3.47340
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H5F3IN
  • Boiling Point261.9 °C at 760 mmHg
  • Molecular Weight287.023
  • Flash Point112.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes20/21/22-36/37/38
  • Molecular Structure
    Molecular Structure of 97760-97-9 (2-Amino-5-iodobenzotrifluoride)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data11

2-Amino-5-iodobenzotrifluoride Specification

The 2-Amino-5-iodobenzotrifluoride is an organic compound with the formula C7H5F3IN. The IUPAC name of this chemical is 4-iodo-2-(trifluoromethyl)aniline. With the CAS registry number 97760-97-9, it is also named as benzenamine, 4-iodo-2-(trifluoromethyl)-. The product's categories are Amines; Phenyls & Phenyl-Het.

Physical properties about 2-Amino-5-iodobenzotrifluoride are: (1)ACD/LogP: 4.01; (2)ACD/LogD (pH 5.5): 4.01; (3)ACD/LogD (pH 7.4): 4.01; (4)ACD/BCF (pH 5.5): 659.02; (5)ACD/BCF (pH 7.4): 659.03; (6)ACD/KOC (pH 5.5): 3625.49; (7)ACD/KOC (pH 7.4): 3625.54; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 48.37 cm3; (14)Molar Volume: 147.2 cm3; (15)Polarizability: 19.17×10-24cm3; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.948 g/cm3; (18)Flash Point: 112.2 °C; (19)Enthalpy of Vaporization: 49.97 kJ/mol; (20)Boiling Point: 261.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0112 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(I)ccc1N
(2)InChI: InChI=1/C7H5F3IN/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H,12H2
(3)InChIKey: MAJKZNONEQIIGP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H5F3IN/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H,12H2
(5)Std. InChIKey: MAJKZNONEQIIGP-UHFFFAOYSA-N

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