Product Name

  • Name

    (1-FLUOROCYCLOHEXYL)METHANOL

  • EINECS
  • CAS No. 117169-30-9
  • Article Data1
  • CAS DataBase
  • Density 1.026 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H13FO
  • Boiling Point 180.3 °C at 760 mmHg
  • Molecular Weight 132.178
  • Flash Point 87.038 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 117169-30-9 ((1-FLUOROCYCLOHEXYL)METHANOL)
  • Hazard Symbols
  • Synonyms (1-Fluorocyclohexyl)methanol;
  • PSA 20.23000
  • LogP 1.65110

Cyclohexanemethanol,1-fluoro- Specification

The Cyclohexanemethanol, 1-fluoro-, with the CAS registry number of 117169-30-9, is also known as (Fluorocyclohexyl)methan-1-ol. It belongs to the product categories of Hydroxymethyl's; Ring Systems. This chemical's molecular formula is C7H13FO and molecular weight is 132.1759232. What's more, its IUPAC name is (1-Fluorocyclohexyl)methanol.

Physical properties about Cyclohexanemethanol, 1-fluoro- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.458; (4)ACD/LogD (pH 7.4): 1.458; (5)ACD/BCF (pH 5.5): 7.555; (6)ACD/BCF (pH 7.4): 7.555; (7)ACD/KOC (pH 5.5): 147.999; (8)ACD/KOC (pH 7.4): 147.999; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 34.072 cm3; (15)Molar Volume: 128.879 cm3; (16)Surface Tension: 30.633 dyne/cm; (17)Density: 1.026 g/cm3; (18)Flash Point: 87.038 °C; (19)Enthalpy of Vaporization: 48.491 kJ/mol; (20)Boiling Point: 180.3 °C at 760 mmHg; (21)Vapour Pressure: 0.266 mmHg at 25 °C.

Preparation: this chemical is prepared by α-(1-Fluorocyclohexyl)-α-hydroxyacetonitrile. The reaction needs reagent NaBH4. Meanwhile, it needs solvents Propan-2-ol and H2O. The reaction time is 1 hours with reaction temperature of 0 °C. The yield is about 74 %.

Uses of Cyclohexanemethanol, 1-fluoro-: it is used to produce other chemicals. For example, it is used to produce 1-Fluorocyclohexanecarboxylic acid. The reaction needs reagent Jones reagent and solvent Acetone. The reaction temperature is 0 °C. The yield is about 59 %.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCC(CC1)(CO)F
(2) InChI: InChI=1/C7H13FO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6H2
(3) InChIKey: CLRVUZYFZVVVBC-UHFFFAOYAT

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