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5-Thiazolecarboxaldehyde, 2,4-dibromo-

  • Name 5-Thiazolecarboxaldehyde, 2,4-dibromo-
  • EINECSN/A
  • CAS No. 139669-95-7
  • Density2.332 g/cm3
  • PSA58.20000
  • LogP2.48060
  • SolubilityN/A
  • Melting Point99.8ºC
  • FormulaC4HBr2NO2S
  • Boiling Point317 °C at 760 mmHg
  • Molecular Weight270.932
  • Flash Point145.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-37
  • Risk Codes Xi:Irritant;
  • Molecular Structure
    Molecular Structure of 139669-95-7 (2,4-DIBROMO-THIAZOLE-5-CARBALDEHYDE,97%)
  • Hazard SymbolsR36/37/38:Irritating to eyes, respiratory system and skin.;
  • SynonymsR36/37/38:Irritating to eyes, respiratory system and skin.;
  • Article Data9

5-Thiazolecarboxaldehyde, 2,4-dibromo- Specification

This chemical is called 5-Thiazolecarboxaldehyde, 2,4-dibromo-, and its systematic name is 2,4-dibromo-1,3-thiazole-5-carbaldehyde. With the molecular formula of C4HBr2NO2S, its molecular weight is 270.93. The CAS registry number of this chemical is 139669-95-7.

Other characteristics of the 5-Thiazolecarboxaldehyde, 2,4-dibromo- can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.2 Å2; (7)Index of Refraction: 1.699; (8)Molar Refractivity: 44.86 cm3; (9)Molar Volume: 116.1 cm3; (10)Polarizability: 17.78×10-24cm3; (11)Surface Tension: 65.6 dyne/cm; (12)Density: 2.332 g/cm3; (13)Flash Point: 145.5 °C; (14)Enthalpy of Vaporization: 55.84 kJ/mol; (15)Boiling Point: 317 °C at 760 mmHg; (16)Vapour Pressure: 0.000396 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1sc(Br)nc1Br
2.InChI: InChI=1/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
3.InChIKey: FDBMZERYWBZSQS-UHFFFAOYAK

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