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Home Page Flashcards Thiamine hydrochloride C12H18Cl2N4OS structure - Flashcards

Thiamine hydrochloride C12H18Cl2N4OS structure – Flashcards

Flashcard maker : Marie Florence

Molecular Formula C12H18Cl2N4OS
Average mass 337.268 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      250 °C (Decomposes) Alfa Aesar
      248 °C Oxford University Chemical Safety Data (No longer updated) More details
      250 °C (Decomposes) Alfa Aesar A19560
      250 °C Biosynth Q-201928
      249 °C (Decomposes) LabNetwork LN00223911
      250 °C Indofine
      [BIO-394]
      248 °C (Decomposes) FooDB FDB008416

    • Experimental Flash Point:

    • Experimental Solubility:

      .; H2O: 0.1 g/mL at 20 ?C, clear, colorless Indofine
      [BIO-394]
  • Miscellaneous

    • Appearance:

      white crystals with a yeast-like odour Oxford University Chemical Safety Data (No longer updated) More details

    • Stability:

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 Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-MUS LD50 8224 mg kg-1, IPR-MUS LD50 200 mg kg-1, IVN-MUS LD50 89 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      26-37-60 Alfa Aesar A19560
      36/37/38 Alfa Aesar A19560
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A19560
      GHS07 Biosynth Q-201928
      H315; H319; H335 Biosynth Q-201928
      H315-H319-H335 Alfa Aesar A19560
      None. Oxford University Chemical Safety Data (No longer updated) More details
      P261; P280; P302+P352; P304+P340; P305+P351+P338; P312 Biosynth Q-201928
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A19560
      Warning Alfa Aesar A19560
      Warning Biosynth Q-201928
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A19560

    • Target Organs:

      VB TargetMol T0894

    • Bio Activity:

      VB1 TargetMol T0894
      Vitamin TargetMol T0894

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

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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