Product Name

  • Name

    5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol

  • EINECS
  • CAS No. 69480-15-5
  • Article Data6
  • CAS DataBase
  • Density 1.2g/cm3
  • Solubility
  • Melting Point
  • Formula C12H15 N3 S
  • Boiling Point 312.4°C at 760 mmHg
  • Molecular Weight 233.337
  • Flash Point 142.7°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 69480-15-5 (5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol)
  • Hazard Symbols Xi
  • Synonyms 5-[4-(TERT-BUTYL)PHENYL]-1H-1,2,4-TRIAZOLE-3-THIOL;3h-1,2,4-triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-1,2-dihydro;5-(4-TERT-BUTYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE;5-(4-(TERT-BUTYL)PHENYL)-1,2,4-TRIAZOLE-3-THIOL
  • PSA 80.37000
  • LogP 3.05790

5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol Chemical Properties

Molecular Structure of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol (CAS No.69480-15-5):
 
Molecular Formula: C12H15N3S
Molecular Weight: 233.33
Systematic Name: 5-(4-tert-Butylphenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
CAS No: 69480-15-5
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 50.93 Å2
Index of Refraction: 1.63
Molar Refractivity: 69.21 cm3
Molar Volume: 194.3 cm3
Surface Tension: 39.9 dyne/cm
Density: 1.2 g/cm3
Flash Point: 142.7 °C
Enthalpy of Vaporization: 55.34 kJ/mol
Boiling Point: 312.4 °C at 760 mmHg
Vapour Pressure: 0.00053 mmHg at 25°C
InChI: InChI=1/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-13-11(16)15-14-10/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKey: IOJOIOYNUDYUPU-UHFFFAOYAL
Std. InChI: InChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-13-11(16)15-14-10/h4-7H,1-3H3,(H2,13,14,15,16)
Std. InChIKey: IOJOIOYNUDYUPU-UHFFFAOYSA-N
Product Categories: Aromatics

5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant

5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol Specification

   5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol (CAS No.69480-15-5), it also can be called 1H-1,2,4-Triazole-3-thiol, 5-[4-(1,1-dimethylethyl)phenyl]- ; 1H-1,2,4-Triazole-5-thiol, 3-[4-(1,1-dimethylethyl)phenyl]- ; 3-(4-tert-Butylphenyl)-1H-1,2,4-triazole-5-thiol .

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