Product Name

  • Name

    BUTTPARK 100\07-45

  • EINECS
  • CAS No. 123278-03-5
  • Article Data9
  • CAS DataBase
  • Density 2.077 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H4ClIO2
  • Boiling Point 360.5 °C at 760 mmHg
  • Molecular Weight 282.465
  • Flash Point 171.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 123278-03-5 (BUTTPARK 100\07-45)
  • Hazard Symbols
  • Synonyms 3-Chloro-2-iodobenzoicacid;
  • PSA 37.30000
  • LogP 2.64280

Benzoicacid, 3-chloro-2-iodo- Specification

The Benzoicacid, 3-chloro-2-iodo- is an organic compound with the formula C7H4ClIO2. The systematic name of this chemical is 3-chloro-5-iodo-benzoic acid. With the CAS registry number 123278-03-5, it is also named as 5-chloro-3-iodobenzoic acid.

Physical properties about Benzoicacid, 3-chloro-2-iodo- are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 0.58; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 37.3 Å2; (8)Index of Refraction: 1.673; (9)Molar Refractivity: 50.98 cm3; (10)Molar Volume: 135.9 cm3; (11)Polarizability: 20.21×10-24cm3; (12)Surface Tension: 61.5 dyne/cm; (13)Density: 2.077 g/cm3; (14)Flash Point: 171.8 °C; (15)Enthalpy of Vaporization: 63.97 kJ/mol; (16)Boiling Point: 360.5 °C at 760 mmHg; (17)Vapour Pressure: 7.94E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(Cl)c1)C(O)=O
(2)InChI: InChI=1/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
(3)InChIKey: LFLGQMGSWYRAMO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
(5)Std. InChIKey: LFLGQMGSWYRAMO-UHFFFAOYSA-N

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