2-Trifluoromethylcycloheptanone supplier

Name
2-TRIFLUOROMETHYLCYCLOHEPTANONE
EINECS
CAS No. 60719-13-3
Article Data12
CAS DataBase
Density 1.171 g/cm³
Solubility
Melting Point
Formula C₈H₁₁F₃O
Boiling Point 181.2 °C at 760 mmHg
Molecular Weight 180.17
Flash Point 72.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Trifluoromethylcycloheptanone;Trifluoromethylcycloheptanone;
PSA 17.07000
LogP 2.69810

2-Trifluoromethylcycloheptanone Specification

The IUPAC name of 2-Trifluoromethylcycloheptanone is 2-(trifluoromethyl)cycloheptan-1-one. With the CAS registry number 60719-13-3, it is also named as Cycloheptanone,2-(trifluoromethyl)-. The product's category is Pharmacetical. In addition, its molecular formula is C₈H₁₁F₃O and molecular weight is 180.16755.

The other characteristics of 2-Trifluoromethylcycloheptanone can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 17.07 Å²; (9)Index of Refraction: 1.399; (10)Molar Refractivity: 37.2 cm³; (11)Molar Volume: 153.7 cm³; (12)Polarizability: 14.74×10^-24cm³; (13)Surface Tension: 26.1 dyne/cm; (14)Density: 1.171 g/cm³; (15)Flash Point: 72.5 °C; (16)Enthalpy of Vaporization: 41.75 kJ/mol; (17)Boiling Point: 181.2 °C at 760 mmHg; (18)Vapour Pressure: 0.862 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1CCCCCC1C(F)(F)F
(2)InChI: InChI=1/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7(6)12/h6H,1-5H2
(3)InChIKey: TXIFKBPXGOUFOF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H11F3O/c9-8(10,11)6-4-2-1-3-5-7(6)12/h6H,1-5H2
(5)Std. InChIKey: TXIFKBPXGOUFOF-UHFFFAOYSA-N

Product Name

2-TRIFLUOROMETHYLCYCLOHEPTANONE

2-Trifluoromethylcycloheptanone Specification

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