Product Name

  • Name

    3-FLUOROPHENYLACETYLENE

  • EINECS
  • CAS No. 2561-17-3
  • Article Data10
  • CAS DataBase
  • Density 1.06 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H5F
  • Boiling Point 148.7 °C at 760 mmHg
  • Molecular Weight 120.126
  • Flash Point 26.2 °C
  • Transport Information UN 1993
  • Appearance
  • Safety 16-26-36
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 2561-17-3 (3-FLUOROPHENYLACETYLENE)
  • Hazard Symbols IrritantXi
  • Synonyms (3-Fluorophenyl)ethyne;(m-Fluorophenyl)acetylene;1-Ethynyl-3-fluorobenzene;3-Fluoroethynylbenzene;3-Fluorophenylacetylene;
  • PSA 0.00000
  • LogP 1.80700

3-Fluorophenylacetylene Specification

The Benzene,1-ethynyl-3-fluoro-, with the CAS registry number 2561-17-3, is also known as 3-Fluorophenylacetylene. It belongs to the product categories of Alkynyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C8H5F and formula weight is 120.12. What's more, its IUPAC name is 1-ethynyl-3-fluorobenzene. It is used as intermediates of liquid crystals.

Physical properties of Benzene,1-ethynyl-3-fluoro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/BCF (pH 5.5): 42.98; (5)ACD/KOC (pH 5.5): 513.73; (6)Index of Refraction: 1.515; (7)Molar Refractivity: 33.92 cm3; (8)Molar Volume: 112.3 cm3; (9)Surface Tension: 33.5 dyne/cm; (10)Density: 1.06 g/cm3; (11)Flash Point: 26.2 °C; (12)Enthalpy of Vaporization: 36.97 kJ/mol; (13)Boiling Point: 148.7 °C at 760 mmHg; (14)Vapour Pressure: 5.3 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin, so you need keep it away from sources of ignition - No smoking. When using it, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CC1=CC(=CC=C1)F
(2)InChI: InChI=1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
(3)InChIKey: PTRUTZFCVFUTMW-UHFFFAOYSA-N

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