Product Name

  • Name

    5-FLUORO-2-METHYLPHENYLTHIOUREA

  • EINECS
  • CAS No. 16822-86-9
  • Article Data3
  • CAS DataBase
  • Density 1.334 g/cm3
  • Solubility
  • Melting Point 120 °C
  • Formula C8H9FN2S
  • Boiling Point 268.4 °C at 760 mmHg
  • Molecular Weight 184.237
  • Flash Point 116.1 °C
  • Transport Information UN 2811
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 16822-86-9 (5-FLUORO-2-METHYLPHENYLTHIOUREA)
  • Hazard Symbols
  • Synonyms N-(5-Fluoro-2-methylphenyl)thiourea;
  • PSA 70.14000
  • LogP 2.56290

(5-Fluoro-2-methyl-phenyl)thiourea Specification

The (5-Fluoro-2-methyl-phenyl)thiourea, with the CAS registry number of 16822-86-9, is also known as N-(5-Fluoro-2-methylphenyl)thiourea. This chemical's molecular formula is C8H9FN2S and molecular weight is 184.23. What's more, its systematic name is 1-(5-Fluoro-2-methylphenyl)thiourea.

Physical properties about (5-Fluoro-2-methyl-phenyl)thiourea are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.08; (6)ACD/BCF (pH 7.4): 11.08; (7)ACD/KOC (pH 5.5): 194.61; (8)ACD/KOC (pH 7.4): 194.61; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 138 cm3; (16)Polarizability: 20.41×10-24 cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 116.1 °C; (20)Enthalpy of Vaporization: 50.64 kJ/mol; (21)Boiling Point: 268.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00772 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1cc(F)ccc1C)N
(2) InChI: InChI=1/C8H9FN2S/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
(3) InChIKey: NZTMKTPFNGHTJG-UHFFFAOYAD

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