Product Name

  • Name

    4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE

  • EINECS
  • CAS No. 38901-31-4
  • Article Data1
  • CAS DataBase
  • Density 1.567 g/cm3
  • Solubility
  • Melting Point 158-160 °C
  • Formula C9H7F6N3S
  • Boiling Point 264.8 °C at 760 mmHg
  • Molecular Weight 303.231
  • Flash Point 114 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38901-31-4 (4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE)
  • Hazard Symbols IrritantXi
  • Synonyms 2,2'-Difluorobiphenyl;N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide;{[3,5-bis(trifluoromethyl)phenyl]amino}hydrazinomethane-1-thione;4-[3,5-Bis(trifluoromethyl)phenyl]-3-thio;4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicabazide 97%;4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicarbazide;4-[3,5-Di(trifluoromethyl)phenyl]-3-thiosemicarbazide;
  • PSA 82.17000
  • LogP 4.04850

Hydrazinecarbothioamide,N-[3,5-bis(trifluoromethyl)phenyl]- Specification

The Hydrazinecarbothioamide,N-[3,5-bis(trifluoromethyl)phenyl]-, with the CAS registry number 38901-31-4, is also known as 2,2'-Difluorobiphenyl. This chemical's molecular formula is C9H7F6N3S and molecular weight is 303.23. What's more, its systematic name is N-[3,5-bis(trifluoromethyl)phenyl]hydrazinecarbothioamide. It should be sealed and stored in cool and dry places.

Physical properties of Hydrazinecarbothioamide,N-[3,5-bis(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 557.27; (6)ACD/BCF (pH 7.4): 553; (7)ACD/KOC (pH 5.5): 3215.02; (8)ACD/KOC (pH 7.4): 3190.36; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 60.24 cm3; (15)Molar Volume: 193.3 cm3; (16)Polarizability: 23.88×10-24 cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.567 g/cm3; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 50.27 kJ/mol; (21)Boiling Point: 264.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00949 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NN
(2)InChI: InChI=1/C9H7F6N3S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(19)18-16/h1-3H,16H2,(H2,17,18,19)
(3)InChIKey: NCYLHRNUKHCMDE-UHFFFAOYAY

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