Product Name

  • Name

    1-TRIFLUOROMETHYLCYCLOBUTANE-1-CARBOXYLIC ACID

  • EINECS 213-517-3
  • CAS No. 277756-45-3
  • Article Data1
  • CAS DataBase
  • Density 1.465 g/cm3
  • Solubility
  • Melting Point 86-88 °C
  • Formula C6H7F3O2
  • Boiling Point 183 °C at 760 mmHg
  • Molecular Weight 168.116
  • Flash Point 64.5 °C
  • Transport Information UN 2810 6.1/PG 3
  • Appearance
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 277756-45-3 (1-TRIFLUOROMETHYLCYCLOBUTANE-1-CARBOXYLIC ACID)
  • Hazard Symbols ToxicT; IrritantXi
  • Synonyms 1-(Trifluoromethyl)cyclobutanecarboxylicacid;
  • PSA 37.30000
  • LogP 1.80360

1-(Trifluoromethyl)cyclobutanecarboxylic acid Specification

The cas register number of 1-(Trifluoromethyl)cyclobutanecarboxylic acid is 277756-45-3. It also can be called as Cyclobutanecarboxylicacid, 1-(trifluoromethyl)- and the Systematic name about this chemical is 1-(trifluoromethyl)cyclobutanecarboxylic acid. It belongs to the following product categories, such as C6, Carbonyl Compounds, Carboxylic Acids and so on. This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Physical properties about 1-(Trifluoromethyl)cyclobutanecarboxylic acid are: (1)ACD/LogP: 1.19; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.423; (13)Molar Refractivity: 29.24 cm3; (14)Molar Volume: 114.7 cm3; (15)Polarizability: 11.59x10-24cm3; (16)Surface Tension: 36.9 dyne/cm; (17)Enthalpy of Vaporization: 46.23 kJ/mol; (18)Vapour Pressure: 0.362 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C1(C(=O)O)CCC1
(2)InChI: InChI=1/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
(3)InChIKey: HYRCPSRIIWIESW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
(5)Std. InChIKey: HYRCPSRIIWIESW-UHFFFAOYSA-N

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