4-Bromo-1-chloro-2-ethylbenzene C8H8BrCl structure – Flashcards

Flashcard maker : Dennis Jennings

C8H8BrCl structure
Molecular Formula C8H8BrCl
Average mass 219.506 Da
Density 1.5±0.1 g/cm3
Boiling Point 235.1±20.0 °C at 760 mmHg
Flash Point 116.2±11.9 °C
Molar Refractivity 48.4±0.3 cm3
Polarizability 19.2±0.5 10-24cm3
Surface Tension 36.7±3.0 dyne/cm
Molar Volume 150.4±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Flash Point:

    • Experimental Gravity:

      1.399-1.519 g/l Alfa Aesar B25613
  • Miscellaneous
    • Appearance:

      Not Available Novochemy
      [NC-21173]
    • Safety:

      20/21/22 Novochemy
      [NC-21173]
      20/21/36/37/39 Novochemy
      [NC-21173]
      26-37 Alfa Aesar B25613
      36/37/38 Alfa Aesar B25613
      GHS07; GHS09 Novochemy
      [NC-21173]
      H315-H319-H335 Alfa Aesar B25613
      H332; H403 Novochemy
      [NC-21173]
      IRRITANT Alfa Aesar B25613
      Irritant SynQuest 1700-D-X5, 65608
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar B25613
      P309+P311; P211; P242 Novochemy
      [NC-21173]
      R52/53 Novochemy
      [NC-21173]
      Warning Alfa Aesar B25613
      Warning Novochemy
      [NC-21173]
      WARNING: Irritates lungs, eyes, skin Alfa Aesar B25613

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 235.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 116.2±11.9 °C
Index of Refraction: 1.557
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 907.54
ACD/KOC (pH 5.5): 4558.72
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 907.54
ACD/KOC (pH 7.4): 4558.72
Polar Surface Area: 0 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 150.4±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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