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Cyclopentanecarboxylicacid, 1-(trifluoromethyl)-

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  • Name Cyclopentanecarboxylicacid, 1-(trifluoromethyl)-
  • EINECSN/A
  • CAS No. 277756-44-2
  • Density1.375 g/cm3
  • PSA37.30000
  • LogP2.19370
  • SolubilityInsoluble in water.
  • Melting Point37-38 °C
  • FormulaC7H9F3O2
  • Boiling Point205.5 °C at 760 mmHg
  • Molecular Weight182.142
  • Flash Point78.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 277756-44-2 (1-(TRIFLUOROMETHYL)CYCLOPENTANE-1-CARBOXYLIC ACID)
  • Hazard SymbolsIrritantXi,HarmfulXn
  • SynonymsIrritantXi,HarmfulXn

Cyclopentanecarboxylicacid, 1-(trifluoromethyl)- Specification

The Cyclopentanecarboxylicacid, 1-(trifluoromethyl)-, with the CAS registry number 277756-44-2, is also known as 1-Trifluoromethylcyclopentanecarboxylicacid. It belongs to the product categories of C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C7H9F3O2 and molecular weight is 182.1404. What's more, its systematic name is 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical is harmful if swallowed.

Physical properties about Cyclopentanecarboxylicacid, 1-(trifluoromethyl)- are: (1) ACD/LogP: 1.75; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 37.3 Å2; (7) Index of Refraction: 1.424; (8) Molar Refractivity: 33.85 cm3; (9) Molar Volume: 132.4 cm3; (10) Polarizability: 13.42×10-24 cm3; (11) Surface Tension: 35.3 dyne/cm; (12) Density: 1.375 g/cm3; (13) Flash Point: 78.1 °C; (14) Enthalpy of Vaporization: 48.69 kJ/mol; (15) Boiling Point: 205.5 °C at 760 mmHg; (16) Vapour Pressure: 0.101 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C1(CCCC1)C(=O)O
(2) InChI: InChI=1/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
(3) InChIKey: DGQRYPPBAJNZFZ-UHFFFAOYAX

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