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3-Chloro-4-iodopyridine

  • Name 3-Chloro-4-iodopyridine
  • EINECSN/A
  • CAS No. 77332-79-7
  • Density2.052 g/cm3
  • PSA12.89000
  • LogP2.33960
  • SolubilityN/A
  • Melting Point105-106 °C
  • FormulaC5H3ClIN
  • Boiling Point245.001 °C at 760 mmHg
  • Molecular Weight239.443
  • Flash Point101.973 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes22-37/38-41
  • Molecular Structure
    Molecular Structure of 77332-79-7 (3-CHLORO-4-IODOPYRIDINE)
  • Hazard SymbolsToxicT
  • SynonymsToxicT
  • Article Data11

3-Chloro-4-iodopyridine Specification

The 3-Chloro-4-iodopyridine, with the CAS registry number 77332-79-7, is also known as Pyridine, 3-chloro-4-iodo-. It belongs to the product categories of Compounds of pyridine; Pharmacetical; Halides; Pyridines. This chemical's molecular formula is C5H3ClIN and molecular weight is 239.44. What's more, its systematic name is 3-Chloro-4-iodopyridine.

Physical properties of 3-Chloro-4-iodopyridine are: (1)ACD/LogP: 3.325; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 198.02; (6)ACD/BCF (pH 7.4): 198.05; (7)ACD/KOC (pH 5.5): 1533.13; (8)ACD/KOC (pH 7.4): 1533.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 42.146 cm3; (15)Molar Volume: 116.681 cm3; (16)Polarizability: 16.708×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 2.052 g/cm3; (19)Flash Point: 101.973 °C; (20)Enthalpy of Vaporization: 46.255 kJ/mol; (21)Boiling Point: 245.001 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc(c1I)Cl
(2)Std. InChI: InChI=1S/C5H3ClIN/c6-4-3-8-2-1-5(4)7/h1-3H
(3)Std. InChIKey: SQXBYRRNGPVSAU-UHFFFAOYSA-N 

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