Welcome to LookChem.com Sign In|Join Free

Product Name

  • or
Home > Products > 

2,4-Difluorophenyl isothiocyanate

  • Name 2,4-Difluorophenyl isothiocyanate
  • EINECS-0
  • CAS No. 141106-52-7
  • Density1.26 g/cm3
  • PSA44.45000
  • LogP2.69910
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H3F2NS
  • Boiling Point224.805 °C at 760 mmHg
  • Molecular Weight171.17
  • Flash Point89.759 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety23-26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 141106-52-7 (2,4-DIFLUOROPHENYL ISOTHIOCYANATE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data9

2,4-Difluorophenyl isothiocyanate Specification

The Benzene,2,4-difluoro-1-isothiocyanato-, with the CAS registry number 141106-52-7, is also known as 2,4-Difluorophenyl isothiocyanate. It belongs to the product categories of Isothiocyanate; Phenyl isocyanate&Phenyl isothiocyanate; Aromatics Compounds; Sulfur & Selenium Compounds; Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates. This chemical's molecular formula is C7H3F2NS and formula weight is 171.16. What's more, its IUPAC name is 2,4-difluoro-1-isothiocyanatobenzene. 

Physical properties of Benzene,2,4-difluoro-1-isothiocyanato- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/BCF (pH 5.5): 194.81; (5)ACD/KOC (pH 5.5): 1515.34; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 44.45 Å2; (10)Index of Refraction: 1.536; (11)Molar Refractivity: 42.37 cm3; (12)Molar Volume: 135.8 cm3; (13)Surface Tension: 30.3 dyne/cm; (14)Density: 1.26 g/cm3; (15)Flash Point: 89.8 °C; (16)Enthalpy of Vaporization: 44.26 kJ/mol; (17)Boiling Point: 224.8 °C at 760 mmHg; (18)Vapour Pressure: 0.134 mmHg at 25°C.

Uses of Benzene,2,4-difluoro-1-isothiocyanato-: it can be used to produce 1,3-bis-(2,4-difluoro-phenyl)-thiourea at the temperature of 20°C. It will need solvent ethanol. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)F)N=C=S
(2)InChI: InChI=1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
(3)InChIKey: ABGGPKIFVAIRGU-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 141106-52-7
Related Products

Hot Products

Post a RFQ