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Bromothymol blue c27h28br2o5s structure

Subject: Others
Info
  • Published: January 18, 2022
  • Updated: January 18, 2022
  • Language: English
  • Downloads: 10

Contents

  • Safety:
Molecular Formula C 27 H 28 Br 2 O 5 S
Average mass 624. 381 Da
Density 1. 5±0. 1 g/cm 3
Boiling Point 614. 3±55. 0 °C at 760 mmHg
Flash Point 325. 3±31. 5 °C
Molar Refractivity 144. 8±0. 4 cm 3
Polarizability 57. 4±0. 5 10 -24 cm 3
Surface Tension 54. 1±3. 0 dyne/cm
Molar Volume 404. 9±3. 0 cm 3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      200-202 °CAlfa Aesar
      200 °COxford University Chemical Safety Data (No longer updated)More details
      200-202 °CAlfa AesarA17746
      200 °CJean-Claude Bradley Open Melting Point Dataset15410
      201 °CJean-Claude Bradley Open Melting Point Dataset21238, 6586

    • Experimental Boiling Point:

      184. 9 °CBiosynthJ-610060

    • Experimental Gravity:

      63 g/mLBiosynthJ-610060
  • Miscellaneous

    • Appearance:

      purple to pink powderOxford University Chemical Safety Data (No longer updated)More details

    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated)More details

    • Safety:

      CAUTION: May irritate skin and eyesAlfa AesarA17746
      Safety glasses. Oxford University Chemical Safety Data (No longer updated)More details

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

Density: 1. 5±0. 1 g/cm 3
Boiling Point: 614. 3±55. 0 °C at 760 mmHg
Vapour Pressure: 0. 0±1. 8 mmHg at 25°C
Enthalpy of Vaporization: 94. 5±3. 0 kJ/mol
Flash Point: 325. 3±31. 5 °C
Index of Refraction: 1. 634
Molar Refractivity: 144. 8±0. 4 cm 3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8. 60
ACD/LogD (pH 5. 5): 7. 90
ACD/BCF (pH 5. 5): 575174. 94
ACD/KOC (pH 5. 5): 440905. 75
ACD/LogD (pH 7. 4): 6. 27
ACD/BCF (pH 7. 4): 13411. 26
ACD/KOC (pH 7. 4): 10280. 53
Polar Surface Area: 92 Å 2
Polarizability: 57. 4±0. 5 10 -24 cm 3
Surface Tension: 54. 1±3. 0 dyne/cm
Molar Volume: 404. 9±3. 0 cm 3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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